Compound 31


Smiles:

Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
CAT 1DGH C 1 -13.645660000000001
SERPINA5 3DY0 A 0 -13.450120000000002
ECI1 1SG4 B 0 -13.413310000000001
NTRK1 4PMM A 0 -13.405439999999999
TOP1 1RR8 C 0 -13.375060000000001
BRAF 4H58 C 0 -13.33755
CYP1A1 4I8V A 0 -13.23725
AKT1 4EJN A 0 -13.09631
KDR 4ASE A 0 -13.051789999999999
PROCR 1LQV B 0 -13.03283
DDR1 3ZOS B 0 -12.96565
HDAC8 3MZ4 B 0 -12.92045
FLT1 3HNG A 0 -12.88177
SLC2A1 4PYP A 0 -12.85046
TOP1 1SEU A 0 -12.84328
NOS3 4D1O A 0 -12.78823
AIFM1 4LII A 0 -12.75639
PARP2 3KCZ A 0 -12.7285
CDK1 4Y72 A 0 -12.6941
LTA4H 1HS6 A 0 -12.66349
MMP2 1CK7 A 0 -12.62854
ACVR1 4C02 A 0 -12.61848
KDM1A 2IW5 A 0 -12.60777
NMT1 3IU1 B 0 -12.57215
PDE4D 3G58 D 0 -12.54743
HINT1 3TW2 A 0 -12.53365
TOP1 1SC7 A 0 -12.48275
NOS3 3EAH B 0 -12.43958
CLK1 1Z57 A 0 -12.43432
AKR1C2 1XJB A 0 -12.39555
SUOX 1MJ4 A 0 -12.38941
AKR1B1 3RX2 A 0 -12.3792
GGPS1 2Q80 A 0 -12.35339
CDK2 4GCJ A 0 -12.31958
GMDS 1T2A A 0 -12.24012
VDR 3AZ3 A 0 -12.2301
TNKS2 4HYF A 0 -12.21112
TYK2 4PO6 A 0 -12.206660000000001
KDR 3EWH A 0 -12.18088
ERBB4 3BCE B 0 -12.17693
TXNRD1 3QFB A 0 -12.16959
SULT1A3 2A3R A 0 -12.14836
ADRB2 3PDS A 0 -12.137789999999999
PPARG 3E00 D 0 -12.10455
ABL1 2G2H A 0 -12.08655
POLQ 5AGA A 1 -12.08367
YARS 1N3L A 0 -12.076939999999999
DTYMK 1E2F A 0 -12.07438
KDM4C 4XDO A 0 -12.07432
MAPK3 4QTB A 0 -12.07419
HPRT1 1BZY A 0 -12.03985
ADRB2 4GBR A 0 -12.031139999999999
HNMT 2AOT A 0 -12.001389999999999
TGFBR1 3HMM A 0 -11.997060000000001
NT5E 4H2I A 0 -11.99263
EP300 4BHW A 0 -11.989360000000001
SPR 1Z6Z A 0 -11.98403
CFD 2XW9 A 0 -11.98276
CHKB 2IG7 B 0 -11.98254
ERBB2 3PP0 B 0 -11.9756
MAPK14 1YQJ A 0 -11.95663
PITPNA 1UW5 A 0 -11.94979
MAT2B 2YDX A 0 -11.935130000000001
ORM1 3KQ0 A 0 -11.92038
CTBP2 2OME A 0 -11.89589
WARS 1R6T A 0 -11.891630000000001
F10 1G2L A 0 -11.88349
HAT1 2P0W A 0 -11.84023
DHRS4 3O4R A 0 -11.83675
PIP4K2B 1BO1 A 0 -11.82165
ACADSB 2JIF A 0 -11.816
PARP1 4DQY C 0 -11.79933
COMT 4PYK A 0 -11.79839
ALDH4A1 3V9G A 0 -11.79599
PTGR1 1ZSV A 0 -11.788839999999999
TLR2 2Z7X A 0 -11.78373
NMT1 1RXT A 0 -11.78333
PLA2G15 4X90 A 0 -11.777289999999999
AMD1 1MSV B 1 -11.77706
GNPDA1 1NE7 A 0 -11.77218
PDE4D 3G4I D 0 -11.77186
AKT1 4EKL A 0 -11.75424
TH 2XSN D 0 -11.75216
EP300 4PZS A 0 -11.751
ACADS 2VIG E 0 -11.74703
ERBB3 3KEX A 0 -11.74194
ALB 4K71 A 0 -11.73596
GSR 3DJJ A 0 -11.734739999999999
CENPE 1T5C A 0 -11.730780000000001
ME1 3WJA B 0 -11.72633
GCDH 1SIQ A 0 -11.72584
PARP1 4ZZZ A 0 -11.72513
FGFR3 4K33 A 0 -11.72274
PYGL 1FA9 A 0 -11.72182
PIK3CG 3ML9 A 0 -11.721589999999999
NMRAL1 2WM3 A 0 -11.72149
BRAF 3SKC B 0 -11.715860000000001
EGFR 3W32 A 0 -11.71497
PARP1 1UK0 A 0 -11.71457
CSNK2A2 3OFM A 0 -11.71295