Compound 5


Smiles:

COc1ccc2c(c1)[nH]c1c2ccnc1C

Current docking status:

Idle

Top 100 Predicted Targets

(takes longer)

Gene Pdb Chain Pocket Score
MMP2 1CK7 A 0 -9.99582
MMP2 1GXD A 0 -9.77438
CLK1 1Z57 A 0 -9.553189999999999
HINT1 3TW2 A 0 -9.42463
MGLL 3PE6 A 0 -9.3728
TGFBR1 2WOT A 2 -9.32474
MAP3K8 4Y85 A 0 -9.3048
B2M 4IIQ C 1 -9.25977
ALB 1N5U A 4 -9.24302
CYP1A1 4I8V A 0 -9.12726
TNIK 2X7F B 0 -9.07064
TOP1 1RR8 C 0 -9.04457
PROCR 1LQV B 0 -8.95133
ALB 1N5U A 1 -8.93865
TOP1 1SEU A 0 -8.89607
RARG 1EXA A 0 -8.8903
SULT1A3 2A3R A 0 -8.88626
CSNK2A2 3OFM A 0 -8.879430000000001
SULT2B1 1Q20 A 0 -8.83645
HPRT1 1BZY A 0 -8.81113
PRKACA 4WB7 A 0 -8.806989999999999
TYK2 4PO6 A 0 -8.76459
CAT 1DGH C 1 -8.75813
NR1H2 4NQA I 0 -8.736989999999999
CYB5B 3NER B 1 -8.72771
WEE1 1X8B A 0 -8.72363
CDK16 3MTL A 0 -8.7163
LTA4H 1HS6 A 0 -8.71503
BRAF 4H58 C 0 -8.71342
RARB 4DM8 B 1 -8.71037
NNMT 2IIP A 0 -8.69769
VDR 3AZ3 A 0 -8.686630000000001
RARB 4DM6 A 0 -8.66187
NR1H3 3IPU A 0 -8.65535
ETFB 1EFV B 0 -8.64327
KDM4C 4XDO A 0 -8.6383
RXRA 4NQA H 0 -8.629560000000001
CHEK2 2YCF A 1 -8.62293
IDE 3CWW A 1 -8.59365
RAMP1 4RWG B 0 -8.55252
HMGCS2 2WYA A 0 -8.54631
CSNK1D 4TWC A 0 -8.545869999999999
NOS3 3EAH B 0 -8.534419999999999
NT5E 4H2I A 0 -8.50692
CSNK2A2 3U87 A 0 -8.50036
CDK6 1XO2 B 0 -8.49673
MMP2 3AYU A 0 -8.48813
PARP10 3HKV A 0 -8.47217
SMYD3 3PDN A 0 -8.455160000000001
PDK1 2Q8G A 1 -8.44197
AKR1C2 1XJB A 0 -8.42442
AP1B1 4HMY B 1 -8.42137
PARP1 4OPX A 0 -8.417119999999999
MSH2 3THW A 3 -8.40002
MAP4K4 4U43 A 0 -8.39541
ABL1 2FO0 A 0 -8.39529
SUOX 1MJ4 A 0 -8.39127
HNMT 2AOT A 0 -8.38561
VDR 1IE9 A 0 -8.38105
PYGL 3DDS A 4 -8.37513
POLG 3IKM D 3 -8.36482
TNKS2 4HYF A 0 -8.36086
RARA 3KMR A 2 -8.35866
RET 4CKJ A 0 -8.351980000000001
CBS 4COO A 0 -8.35169
MAP2K1 3W8Q A 0 -8.3481
TOP1 1SC7 A 0 -8.34178
CDK1 4Y72 A 0 -8.33998
AKR7A2 2BP1 A 0 -8.31513
PDPK1 3QC4 B 0 -8.30745
KIF11 4BXN A 0 -8.30585
PIM2 2IWI B 0 -8.30333
GCK 4DCH A 1 -8.2982
MUT 2XIQ A 0 -8.279819999999999
DAPK1 2W4K A 0 -8.27881
ADRB2 4GBR A 0 -8.2766
LYPLA1 1FJ2 A 2 -8.27554
PARP1 4ZZZ A 0 -8.27322
KIT 3G0E A 1 -8.272969999999999
CFD 2XW9 A 0 -8.27069
NPC1 3GKH A 0 -8.26942
KDM1A 2IW5 A 0 -8.262830000000001
MAPKAPK3 3FHR A 2 -8.26117
CDK8 4F7S A 0 -8.25301
ECI1 1SG4 B 0 -8.25066
NT5C2 2XCW A 1 -8.24416
AKR1B1 3RX2 A 0 -8.236139999999999
ENOSF1 4A35 A 0 -8.23223
GGPS1 2Q80 A 0 -8.22555
PIM1 3F2A A 0 -8.22293
PDE4D 1OYN A 0 -8.22113
PLK2 4I5M A 0 -8.20928
CTLA4 2X44 D 0 -8.20192
PAH 1MMK A 0 -8.19824
AHCY 1A7A A 0 -8.19558
FFAR1 4PHU A 1 -8.19518
NT5E 4H1Y P 0 -8.19277
UROD 1R3Q A 0 -8.1914
PLK1 2RKU A 0 -8.17906
HSPA2 3I33 A 0 -8.178