SCHEMBL25532947

SCHEMBL25532947

Cc1cc([C@@H](C)Nc2ccccc2C(=O)OC(C)(C)C)c2oc(-c3cccc(C)n3)cc(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.51
▸ PIK3CB P42338 2/20 0.48
▸ MTOR P42345 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CG P48736 1/20 0.45

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
SCHEMBL30336111 1.00 PIK3CA (0.51) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25532945 1.00 PIK3CA (0.51) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25532939 0.88 PIK3CA (0.65) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30336136 0.88 PIK3CA (0.65) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25532941 0.88 PIK3CA (0.65) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322636 0.87 PIK3CA (0.47) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30322110 0.87 PIK3CA (0.47) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL24912832 0.87 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30062187 0.87 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30584316 0.87 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-2023081209-A1 PI3K INHIBITORS AND METHODS OF TREATING CANCER ZENO MANAGEMENT, INC. (US) 2023-05-11 — — WO disclosed
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