SCHEMBL25684829

SCHEMBL25684829

COC(=O)c1ccc(F)cc1NC(C)c1cc(C)cc2c(=O)cc(-c3ccc4nn(C)cc4c3)oc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.42
▸ PIK3CB P42338 6/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL31516612 0.94 PIK3CA (0.44) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25681460 0.94 PIK3CA (0.44) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30434249 0.93 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25676471 0.93 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25677293 0.90 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL31516551 0.90 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL31516559 0.88 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25678736 0.88 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25273528 0.88 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30434672 0.88 PIK3CA (0.50) 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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