SCHEMBL30140106

SCHEMBL30140106

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
GPR119 Q8TDV5 3/20 0.47
EGFR P00533 1/20 0.45

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
SCHEMBL30140141 0.89 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL31377619 0.82 GPR119 (0.48) PIK3CDGPR119
SCHEMBL30639982 0.82 GPR119 (0.48) PIK3CDGPR119
SCHEMBL30140379 0.81 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30140061 0.81 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30140176 0.81 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17687796 0.81 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL17687793 0.81 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL30126906 0.80 HPGDS (0.44) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29686088 0.79 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGGPR119

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