SCHEMBL17385526

SCHEMBL17385526

COc1cc(OC)cc(-n2nc(C(=O)N3CCSCC3(C)C)c3c2-c2cc(Br)c(OC)cc2OC3)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.34
▸ PIK3R2 O00459 6/20 0.34
▸ PIK3CA P42336 6/20 0.34
▸ PIK3CB P42338 6/20 0.34
▸ PIK3CG P48736 6/20 0.34
▸ PIK3R5 Q8WYR1 6/20 0.34
▸ PIK3R3 Q92569 6/20 0.34
▸ UGCG Q16739 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCNA2 P20248 3/20 0.31
▸ CDK2 P24941 3/20 0.31
▸ CCNA1 P78396 3/20 0.31

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
SCHEMBL17385443 0.89 UGCG (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17381996 0.81 CCNA2 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30885924 0.79 GRM5 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17375078 0.78 PIK3CD (0.31) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30886147 0.78 GRM5 (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL29538914 0.78 PIK3CD (0.31) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17783226 0.78 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17385442 0.78 CCNA2 (0.49) KDM4EKMT2ACCNA2CDK2CCNA1
SCHEMBL30886207 0.74 — —
SCHEMBL17375050 0.74 UGCG (0.32) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
WO-2015196335-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 — — WO disclosed
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