SCHEMBL4632615

SCHEMBL4632615

O=C(Cc1ccccc1)Nc1n[nH]c2sc(OC(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.50
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNA2 P20248 4/20 0.43
▸ CCNA1 P78396 4/20 0.43
▸ AURKA O14965 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ GLS O94925 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL4631768 0.83 CDK2 (0.52) CDK2CDK1CDK4CCNA2CCNA1
SCHEMBL4633594 0.82 FGFR1 (0.48) CDK2CDK1CCNA2CCNA1AURKA
SCHEMBL4633224 0.78 CA1 (0.46) MAPK1
SCHEMBL4632550 0.77 RAB9A (0.46) —
SCHEMBL4632682 0.76 HDAC6 (0.38) —
SCHEMBL4633621 0.76 MAPK1 (0.46) MAPK1
SCHEMBL4632643 0.76 ADORA3 (0.47) CDK2MAPK1GSK3B
SCHEMBL2412951 0.76 CDK2 (0.45) CDK2CDK1CDK4CCNA2CCNA1
SCHEMBL2415683 0.76 CDK2 (0.46) CDK2CDK1CDK4MAPK1MAPK14
SCHEMBL2417194 0.76 MAPT (0.48) CDK2NPY5R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 — — EP claimed
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