SCHEMBL30140129

SCHEMBL30140129

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4cncc(Cl)c4)c3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
ERBB2 P04626 2/20 0.53
PIK3CD O00329 14/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
GPR119 Q8TDV5 1/20 0.43
EPHA2 P29317 1/20 0.42

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
SCHEMBL30140350 0.92 EGFR (0.49) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL30140085 0.87 EGFR (0.60) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL30140336 0.87 ERBB2 (0.49) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL30140237 0.86 EGFR (0.69) EGFRERBB2
SCHEMBL30140208 0.84 EGFR (0.57) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL30140439 0.83 EGFR (0.55) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL30140251 0.83 EGFR (0.56) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL23537918 0.82 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23537917 0.82 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30140282 0.82 GPR119 (0.50) EGFRERBB2PIK3CDPIK3CAPIK3CB

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