SCHEMBL25531609

SCHEMBL25531609

Cc1cc2c(=O)cc(N3CCC(F)(F)CC3)oc2c([C@@H](C)Nc2ccccc2C(=O)O)n1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.73
▸ PIK3CB P42338 1/20 0.55
▸ MTOR P42345 1/20 0.55
▸ PRKDC P78527 1/20 0.55
▸ PIK3C3 Q8NEB9 1/20 0.55

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
SCHEMBL25531606 0.93 PIK3CA (0.67) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30336521 0.93 PIK3CA (0.67) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25532395 0.93 PIK3CA (0.67) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30335849 0.85 PIK3CA (0.62) PIK3CA
SCHEMBL25532450 0.85 PIK3CA (0.62) PIK3CA
SCHEMBL25532455 0.85 PIK3CA (0.62) PIK3CA
SCHEMBL25181876 0.85 PIK3CA (1.00) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30081699 0.85 PIK3CA (1.00) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL23895729 0.85 PIK3CA (1.00) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25531610 0.83 PIK3CA (0.66) PIK3CA

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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