SCHEMBL30140290

SCHEMBL30140290

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OC[C@H]5CCCO5)c(F)c4F)c3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
EPHA2 P29317 4/20 0.43
ERBB2 P04626 2/20 0.41
EPHB4 P54760 1/20 0.41
PIK3CD O00329 12/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
EGFR P00533 1/20 0.38

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
SCHEMBL30140158 1.00 GPR119 (0.43) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140213 0.94 EPHA2 (0.43) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140188 0.94 EPHA2 (0.43) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140288 0.94 EPHA2 (0.43) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140418 0.92 EPHA2 (0.42) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140103 0.92 EPHA2 (0.42) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140116 0.91 EPHA2 (0.44) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140318 0.90 GPR119 (0.46) GPR119ERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL30140298 0.90 GPR119 (0.49) GPR119EPHA2ERBB2EPHB4PIK3CD
SCHEMBL30140314 0.90 GPR119 (0.49) GPR119EPHA2ERBB2EPHB4PIK3CD

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