SCHEMBL17385443

SCHEMBL17385443

COc1cc(OC)cc(-n2nc(C(=O)N3CCSCC3(C)C)c3c2-c2cc(-c4ccn(C)n4)c(OC)cc2OC3)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.33
▸ PIK3CD O00329 6/20 0.33
▸ PIK3R2 O00459 6/20 0.33
▸ PIK3CA P42336 6/20 0.33
▸ PIK3CB P42338 6/20 0.33
▸ PIK3CG P48736 6/20 0.33
▸ PIK3R5 Q8WYR1 6/20 0.33
▸ PIK3R3 Q92569 6/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17385526 0.89 PIK3CD (0.34) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17375050 0.86 UGCG (0.32) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17381570 0.84 PIK3CD (0.36) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17382270 0.83 PIK3CD (0.35) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17381585 0.81 GRM5 (0.36) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16377947 0.81 UGCG (0.33) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL30681669 0.81 PIK3CD (0.31) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17381568 0.81 PIK3CD (0.31) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17382275 0.81 PIK3CD (0.34) UGCGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17381583 0.80 PIK3CD (0.33) UGCGPIK3CDPIK3R2PIK3CAPIK3CB

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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