SCHEMBL25682965

SCHEMBL25682965

COC(=O)c1ccccc1NC(C)c1cc(C)cc2c(=O)cc(-c3ccc(C)cc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.58
▸ PIK3CB P42338 2/20 0.56
▸ PIK3CD O00329 1/20 0.56
▸ PIK3CG P48736 1/20 0.56
▸ MTOR P42345 1/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.54

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
SCHEMBL31516558 0.95 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25682966 0.94 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25685461 0.92 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30434461 0.90 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25674035 0.90 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25683208 0.89 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25685464 0.88 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL29202712 0.88 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25682967 0.88 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25683183 0.88 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 — — WO disclosed
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