SCHEMBL29099558

SCHEMBL29099558

Cc1nc(NC(=O)N2CCCC2C(N)=O)sc1-c1ccc2c(c1)[C@@](C)(C(F)(F)F)NC2=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.61
PIK3CD O00329 17/20 0.61
PIK3CG P48736 14/20 0.61
PIK3CB P42338 14/20 0.60
PI4KB Q9UBF8 2/20 0.60
GAK O14976 1/20 0.60
PRKACG P22612 1/20 0.60
PIK3R1 P27986 1/20 0.60
MTOR P42345 1/20 0.60
PIK3C2B O00750 1/20 0.54

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
SCHEMBL30185565 1.00 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099564 1.00 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099550 0.82 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099575 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099574 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL30185577 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099530 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL30185588 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099537 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL29099560 0.81 PIK3CA (0.68) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB

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-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