Compound 12
Smiles:
CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
Current docking status:
Idle
Top 100 Predicted Targets
| Gene |
Pdb |
Chain |
Pocket |
Score |
| CYP1A1 |
4I8V |
A |
0 |
-12.870289999999999 |
| NT5E |
4H2I |
A |
0 |
-12.77945 |
| EGFR |
5CNN |
B |
0 |
-12.455969999999999 |
| HINT1 |
3TW2 |
A |
0 |
-12.35367 |
| SERPINA5 |
3DY0 |
A |
1 |
-12.11912 |
| CDK1 |
4Y72 |
A |
0 |
-11.992980000000001 |
| NMT1 |
3IU1 |
B |
0 |
-11.95427 |
| NNT |
1DJL |
A |
0 |
-11.941310000000001 |
| BRAF |
3SKC |
B |
0 |
-11.9123 |
| KDM4C |
4XDO |
A |
0 |
-11.87547 |
| WARS |
1R6T |
A |
0 |
-11.82826 |
| TOP1 |
1SEU |
A |
0 |
-11.80441 |
| HNMT |
2AOT |
A |
0 |
-11.75193 |
| NNT |
1PT9 |
A |
0 |
-11.662930000000001 |
| ERBB4 |
2R4B |
A |
0 |
-11.65886 |
| AKT1 |
4EJN |
A |
0 |
-11.65634 |
| GGPS1 |
2Q80 |
A |
0 |
-11.63476 |
| TOP1 |
1RR8 |
C |
0 |
-11.62703 |
| CSNK1D |
4TWC |
A |
0 |
-11.5976 |
| GCDH |
1SIQ |
A |
0 |
-11.54856 |
| LCK |
3MPM |
A |
0 |
-11.53762 |
| SUFU |
4KMD |
A |
0 |
-11.51864 |
| CDK2 |
4GCJ |
A |
0 |
-11.50145 |
| EGFR |
3W32 |
A |
0 |
-11.490310000000001 |
| MAPK8 |
4QTD |
A |
0 |
-11.47353 |
| GAK |
4O38 |
B |
0 |
-11.4732 |
| KDM5B |
5A3N |
A |
0 |
-11.45531 |
| PARP2 |
3KCZ |
A |
0 |
-11.405669999999999 |
| AIFM1 |
4LII |
A |
0 |
-11.38343 |
| ACAD8 |
1RX0 |
A |
0 |
-11.36341 |
| SGK1 |
2R5T |
A |
0 |
-11.35131 |
| WARS |
1ULH |
B |
0 |
-11.34535 |
| DDAH1 |
2JAJ |
B |
0 |
-11.34428 |
| ULK1 |
5CI7 |
A |
0 |
-11.33133 |
| PIK3CG |
3ML9 |
A |
0 |
-11.3177 |
| UGDH |
2Q3E |
A |
0 |
-11.31753 |
| PIK3CG |
3IBE |
A |
0 |
-11.31504 |
| PHF2 |
3PTR |
B |
0 |
-11.31011 |
| ECI1 |
1SG4 |
B |
0 |
-11.28365 |
| CAT |
1DGH |
C |
1 |
-11.27559 |
| AKR1B1 |
3RX2 |
A |
0 |
-11.26956 |
| NR1H4 |
3OKI |
A |
0 |
-11.244019999999999 |
| LTA4H |
1HS6 |
A |
0 |
-11.218630000000001 |
| PIK3CG |
1E8Y |
A |
0 |
-11.20696 |
| SLC2A1 |
4PYP |
A |
0 |
-11.19404 |
| MUT |
2XIQ |
A |
0 |
-11.14165 |
| NAA50 |
2OB0 |
C |
0 |
-11.13074 |
| EIF2AK3 |
4X7K |
A |
0 |
-11.110489999999999 |
| SERPINA5 |
3DY0 |
A |
0 |
-11.08825 |
| CANT1 |
1S18 |
A |
0 |
-11.07293 |
| CHKB |
2IG7 |
B |
0 |
-11.07051 |
| CDK6 |
1G3N |
A |
0 |
-11.03008 |
| B2M |
4IIQ |
C |
1 |
-11.02882 |
| SIRT3 |
3GLR |
A |
0 |
-11.023489999999999 |
| TOP1 |
1SC7 |
A |
0 |
-10.99827 |
| TOP2A |
1ZXM |
B |
0 |
-10.94974 |
| CLK1 |
1Z57 |
A |
0 |
-10.93944 |
| CXCR4 |
3OE6 |
A |
0 |
-10.93223 |
| NTRK1 |
4PMM |
A |
0 |
-10.9308 |
| CFD |
2XW9 |
A |
0 |
-10.9229 |
| DTYMK |
1E2F |
A |
0 |
-10.91107 |
| TH |
2XSN |
D |
0 |
-10.89321 |
| DAPK1 |
2W4K |
A |
0 |
-10.88842 |
| NMT1 |
1RXT |
A |
0 |
-10.88568 |
| TOP2A |
1ZXN |
C |
0 |
-10.88468 |
| ERBB2 |
3PP0 |
B |
0 |
-10.85264 |
| NEK2 |
2W5A |
A |
0 |
-10.8482 |
| AMD1 |
1MSV |
B |
1 |
-10.836160000000001 |
| ADRB2 |
4GBR |
A |
0 |
-10.831719999999999 |
| ACVR1 |
4C02 |
A |
0 |
-10.827919999999999 |
| NR1D2 |
4N73 |
A |
0 |
-10.82019 |
| GNPDA1 |
1NE7 |
A |
0 |
-10.7926 |
| MAT2B |
2YDX |
A |
0 |
-10.79245 |
| PLK1 |
2RKU |
A |
0 |
-10.78999 |
| DHRS4 |
3O4R |
A |
0 |
-10.770610000000001 |
| CDK4 |
2W99 |
B |
0 |
-10.75768 |
| NOS3 |
3EAH |
B |
0 |
-10.75532 |
| PIM2 |
2IWI |
B |
0 |
-10.75056 |
| NR5A2 |
4RWV |
A |
0 |
-10.74911 |
| PARP1 |
4ZZZ |
A |
0 |
-10.73375 |
| C5 |
4A5W |
A |
1 |
-10.72968 |
| GGT1 |
4GDX |
B |
0 |
-10.72879 |
| SUPV3L1 |
3RC8 |
A |
0 |
-10.70577 |
| KIF11 |
4BXN |
A |
0 |
-10.69937 |
| IKBKB |
4E3C |
B |
0 |
-10.696819999999999 |
| MGLL |
3PE6 |
A |
0 |
-10.6822 |
| CXCR4 |
3ODU |
A |
0 |
-10.67787 |
| GSR |
3DJJ |
A |
0 |
-10.67768 |
| ALB |
4K71 |
A |
0 |
-10.67762 |
| COMT |
4PYK |
A |
0 |
-10.677610000000001 |
| RARB |
4DM6 |
A |
0 |
-10.67557 |
| CBR1 |
1WMA |
A |
0 |
-10.661769999999999 |
| KDM4B |
4LXL |
A |
0 |
-10.65525 |
| ACADS |
2VIG |
E |
0 |
-10.64729 |
| PRKCH |
3TXO |
A |
0 |
-10.63897 |
| IFIT5 |
4HOR |
A |
0 |
-10.62279 |
| GMDS |
1T2A |
A |
0 |
-10.622060000000001 |
| ALB |
1N5U |
A |
0 |
-10.620289999999999 |
| FLT4 |
4BSK |
A |
0 |
-10.619 |
| HRAS |
1LFD |
B |
0 |
-10.61543 |
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