SCHEMBL30140141

SCHEMBL30140141

CC(C)(C)OC(=O)N1CC[C@H](Oc2cc3c(Cl)ncnc3cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
EGFR P00533 1/20 0.49
GPR119 Q8TDV5 3/20 0.46

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
SCHEMBL30140106 0.89 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL17687796 0.84 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL17687793 0.84 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL29834734 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL29834791 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL26111113 0.83 GPR119 (0.49) PIK3CDEGFRGPR119
SCHEMBL30639958 0.83 GPR119 (0.49) PIK3CDEGFRGPR119
SCHEMBL23537917 0.81 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30140074 0.81 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23537918 0.81 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG

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
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed