SCHEMBL30185574

SCHEMBL30185574

Cc1nc(NC(=O)N[C@@H](C)C(N)=O)sc1-c1ccc2c(c1)C(C(F)(F)F)=NC2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.42
PIK3CG P48736 11/20 0.42
PIK3CA P42336 10/20 0.42
PIK3CB P42338 8/20 0.42
PI4KB Q9UBF8 8/20 0.40
PIK3C2A O00443 2/20 0.40
PIK3C2B O00750 2/20 0.40
STK17A Q9UEE5 2/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK9 P50750 1/20 0.40
MAP4K2 Q12851 1/20 0.40
XIAP P98170 1/20 0.39
RPS6KA4 O75676 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAK O14976 1/20 0.36
PRKACG P22612 1/20 0.36
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL29099533 1.00 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL30185586 1.00 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL29099560 0.76 PIK3CA (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL29099535 0.75 HRH2 (0.36) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30185591 0.75 HRH2 (0.36) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL29089049 0.71 XIAP (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL29089047 0.71 XIAP (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1785140 0.70 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1785137 0.70 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1789102 0.70 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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