SCHEMBL31115285

SCHEMBL31115285

Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2oc(-c3ccc4[nH]c(C)cc4c3)cc(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.60
▸ PIK3CB P42338 1/20 0.57
▸ MTOR P42345 1/20 0.57
▸ PRKDC P78527 1/20 0.57
▸ PIK3C3 Q8NEB9 1/20 0.57

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
SCHEMBL31115267 1.00 PIK3CA (0.60) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30770766 0.93 PIK3CA (0.60) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322201 0.90 PIK3CA (0.56) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322164 0.87 PIK3CA (0.58) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322269 0.87 PIK3CA (0.58) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL31115263 0.86 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30434461 0.86 PIK3CA (0.70) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25674035 0.86 PIK3CA (0.70) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24912829 0.86 PIK3CA (0.72) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24912818 0.86 PIK3CA (0.72) 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
CN-118742545-A Fused heterocyclic compounds as PI3K alpha inhibitors 南京征祥医药有限公司 2024-10-01 — — CN disclosed
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