SCHEMBL30564431

SCHEMBL30564431

CCSc1cc(=O)c2cc(CC#N)cc(C(C)Nc3ccccc3C(=O)O)c2o1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.55
▸ PIK3CB P42338 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48

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
SCHEMBL24679204 0.86 PIK3CA (0.73) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30193361 0.86 PIK3CA (0.73) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL29139170 0.86 PIK3CA (0.73) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25181877 0.86 PIK3CA (0.57) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25178200 0.85 PIK3CA (0.62) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30564373 0.85 PIK3CA (0.55) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL25185652 0.83 PIK3CA (0.64) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30564396 0.79 PIK3CA (0.72) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30564403 0.79 CCNE2 (0.32) —
SCHEMBL23895857 0.77 PIK3CA (0.61) 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-116715658-A Benzocyclic ketone derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-09-08 — — CN disclosed
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