SCHEMBL22607657

SCHEMBL22607657

COc1cc2c(cc1-c1c[nH]nc1C)-c1c(c(C(=O)O)nn1-c1ccsc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3R5 Q8WYR1 1/20 0.30
▸ PIK3R3 Q92569 1/20 0.30

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
SCHEMBL16377703 0.89 — —
SCHEMBL22607645 0.87 CCNA2 (0.32) CCNA2CDK2CCNA1
SCHEMBL16377814 0.87 CCNA2 (0.30) CCNA2CDK2CCNA1
SCHEMBL22607646 0.86 CCNA2 (0.39) CCNA2CDK2CCNA1
SCHEMBL16377786 0.86 BRD4 (0.32) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377986 0.85 PIK3CD (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16333638 0.85 CCNA2 (0.39) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL29670696 0.84 CCNA2 (0.36) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16339733 0.84 CCNA2 (0.36) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL16339421 0.83 CCNA2 (0.35) CCNA2CDK2CCNA1PIK3CDPIK3R2

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-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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