SCHEMBL30770733

SCHEMBL30770733

CCSc1cc(=O)c2cc(C)cc(C(C)N=[N+]=[N-])c2o1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.34
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PRKDC P78527 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ ELANE P08246 1/20 0.30

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
SCHEMBL29202685 1.00 PIK3CA (0.34) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL23887338 0.87 PDE2A (0.32) CCNE2CDK1CDK4CCNB1CCND1
SCHEMBL23887360 0.84 PDE2A (0.40) PIK3CA
SCHEMBL30064040 0.82 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL24913406 0.82 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL23887207 0.82 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL23887051 0.82 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL23887343 0.82 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL29202702 0.76 PIK3CA (0.34) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL29139166 0.73 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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-117769546-A Allosteric ketene inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-03-26 — — CN disclosed
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