SCHEMBL29099583

SCHEMBL29099583

Cc1cc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)cc2c1C(=O)N(C)C2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.59
PIK3CD O00329 16/20 0.59
PIK3CG P48736 14/20 0.59
PIK3CB P42338 14/20 0.58
PIK3C2B O00750 1/20 0.57
PI4KB Q9UBF8 2/20 0.55
PIK3R1 P27986 2/20 0.55
GAK O14976 1/20 0.55
PRKACG P22612 1/20 0.55
MTOR P42345 1/20 0.55
CLK4 Q9HAZ1 1/20 0.52
STK17A Q9UEE5 1/20 0.52

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
SCHEMBL30185555 0.92 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL30185575 0.92 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099542 0.92 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL30185561 0.90 PIK3CA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099614 0.90 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099549 0.90 PIK3CA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099548 0.88 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099577 0.87 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099551 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B
SCHEMBL29099587 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPIK3C2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611883-B PI3K alpha inhibitor with double-ring structure, and preparation method and application thereof 生物岛实验室 2025-03-28 CN disclosed
CN-115611883-A PI3K alpha inhibitor with bicyclic structure and preparation method and application thereof 生物岛实验室 2023-01-17 CN disclosed