SCHEMBL25678252

SCHEMBL25678252

Cc1cc([C@H](C)Nc2ccccc2C(=O)O)c2oc(-c3ccc(-c4cnn(C)c4)cc3)cc(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.61
▸ PIK3CB P42338 1/20 0.60
▸ MTOR P42345 1/20 0.60
▸ PRKDC P78527 1/20 0.60
▸ PIK3C3 Q8NEB9 1/20 0.60

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
SCHEMBL25683563 1.00 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30434591 1.00 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25678251 1.00 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL31516552 1.00 PIK3CA (0.61) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24680532 0.96 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30090457 0.96 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24908611 0.96 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24912701 0.94 PIK3CA (0.59) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30216305 0.94 PIK3CA (0.59) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL26997878 0.94 PIK3CA (0.59) 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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