SCHEMBL6157786

SCHEMBL6157786

COc1cccc(Nc2nccc(-c3sc([AsH]C)nc3C)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.61
AURKA O14965 3/20 0.61
CDK1 P06493 3/20 0.61
AURKB Q96GD4 3/20 0.61
GSK3B P49841 3/20 0.61
FLT3 P36888 2/20 0.61
DYRK1A Q13627 2/20 0.61
MKNK2 Q9HBH9 2/20 0.61
CDK5 Q00535 2/20 0.61
CDC7 O00311 1/20 0.61
PLK4 O00444 1/20 0.61
IKBKB O14920 1/20 0.61
CHUK O15111 1/20 0.61
MAPK13 O15264 1/20 0.61
DAPK3 O43293 1/20 0.61
DYRK3 O43781 1/20 0.61
JAK2 O60674 1/20 0.61
ROCK2 O75116 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14562071 0.88 PIK3CG (0.64) CDK2AURKACDK1AURKBGSK3B
SCHEMBL6156552 0.88 CDK2 (0.72) CDK2AURKACDK1AURKBGSK3B
SCHEMBL2285781 0.86 CDK2 (0.67) CDK2AURKACDK1AURKBGSK3B
SCHEMBL2286476 0.85 CDK2 (0.74) CDK2AURKACDK1AURKBGSK3B
SCHEMBL27741375 0.84 CDK2 (0.62) CDK2AURKACDK1AURKBGSK3B
SCHEMBL27741365 0.84 CDK2 (0.60) CDK2AURKACDK1AURKBGSK3B
SCHEMBL2286543 0.83 PIK3CG (0.61) CDK2AURKACDK1AURKBGSK3B
SCHEMBL4803155 0.82 CDK2 (0.71) CDK2AURKACDK1AURKBGSK3B
SCHEMBL6161270 0.82 CDK2 (0.78) CDK2AURKACDK1AURKBGSK3B
SCHEMBL2283576 0.81 CDK2 (0.59) CDK2AURKACDK1AURKBGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO disclosed