SCHEMBL25677257

SCHEMBL25677257

Cc1cc(C(C)Nc2ccccc2C=O)c2oc(-c3ccc4ncccc4c3)cc(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.54
▸ PIK3CB P42338 4/20 0.54
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ CYP1A1 P04798 2/20 0.49
▸ CYP1B1 Q16678 2/20 0.49
▸ MTOR P42345 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL25220938 0.88 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30434311 0.88 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30322423 0.76 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30434662 0.76 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL25220671 0.76 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL30584279 0.76 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGCYP1A1
SCHEMBL30322325 0.76 PIK3CA (0.58) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30770735 0.74 PIK3CA (0.59) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL29202737 0.74 PIK3CA (0.59) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322557 0.74 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3

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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