SCHEMBL30140135

SCHEMBL30140135

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OCC5CCOCC5)c(Cl)c4F)c3n2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.47
GPR119 Q8TDV5 1/20 0.42
ERBB2 P04626 3/20 0.42
KCNH2 Q12809 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41

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
SCHEMBL30140389 0.96 EGFR (0.52) EGFRGPR119ERBB2KCNH2PIK3CD
SCHEMBL30140139 0.96 EGFR (0.52) EGFRGPR119ERBB2KCNH2PIK3CD
SCHEMBL30140406 0.96 EGFR (0.52) EGFRGPR119ERBB2KCNH2PIK3CD
SCHEMBL30140268 0.93 EGFR (0.48) EGFRGPR119ERBB2KCNH2PIK3CD
SCHEMBL30140116 0.92 EPHA2 (0.44) EGFRGPR119ERBB2PIK3CDPIK3CA
SCHEMBL30140114 0.91 EGFR (0.42) EGFRGPR119ERBB2PIK3CDPIK3CA
SCHEMBL30140316 0.90 EGFR (0.48) EGFRGPR119ERBB2KCNH2PIK3CD
SCHEMBL30140204 0.90 EGFR (0.46) EGFRGPR119ERBB2KCNH2PIK3CD
SCHEMBL30140213 0.90 EPHA2 (0.43) EGFRGPR119ERBB2PIK3CDPIK3CA
SCHEMBL30140188 0.90 EPHA2 (0.43) EGFRGPR119ERBB2PIK3CDPIK3CA

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