SCHEMBL30140202

SCHEMBL30140202

CC1(COc2ccc(Nc3ncnc4ccc(O[C@H]5CCN(C(=O)OC(C)(C)C)C5)nc34)c(F)c2Cl)COC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.43
ERBB2 P04626 5/20 0.43
GPR119 Q8TDV5 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
KCNH2 Q12809 2/20 0.39
RIPK2 O43353 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
EPHB2 P29323 1/20 0.39
TEC P42680 1/20 0.39
EPHB4 P54760 1/20 0.39
EPHA4 P54764 1/20 0.39
BTK Q06187 1/20 0.39
TNK1 Q13470 1/20 0.39
RIPK3 Q9Y572 1/20 0.39

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
SCHEMBL30140335 0.91 EGFR (0.44) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140150 0.91 EGFR (0.44) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140204 0.91 EGFR (0.46) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140151 0.90 EGFR (0.54) EGFRERBB2KCNH2RIPK2RET
SCHEMBL30140075 0.90 EGFR (0.42) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140132 0.90 EGFR (0.43) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140146 0.90 EGFR (0.43) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140450 0.89 EGFR (0.45) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140245 0.89 EGFR (0.45) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140267 0.89 EGFR (0.45) EGFRERBB2GPR119PIK3CDPIK3CA

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