SCHEMBL30140288

SCHEMBL30140288

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OCC5CCCO5)c(Cl)c4F)c3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.43
ERBB2 P04626 3/20 0.43
EPHB4 P54760 1/20 0.43
EGFR P00533 13/20 0.42
GPR119 Q8TDV5 1/20 0.42
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40

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
SCHEMBL30140213 1.00 EPHA2 (0.43) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140188 1.00 EPHA2 (0.43) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140103 0.98 EPHA2 (0.42) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140418 0.98 EPHA2 (0.42) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140116 0.97 EPHA2 (0.44) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140290 0.94 GPR119 (0.43) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140158 0.94 GPR119 (0.43) EPHA2ERBB2EPHB4EGFRGPR119
SCHEMBL30140268 0.90 EGFR (0.48) ERBB2EGFRGPR119PIK3CDPIK3CA
SCHEMBL30140135 0.90 EGFR (0.47) ERBB2EGFRGPR119PIK3CDPIK3CA
SCHEMBL30140265 0.89 EGFR (0.54) ERBB2EPHB4EGFR

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