SCHEMBL30140139

SCHEMBL30140139

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OC[C@H]5CCOC5)c(Cl)c4F)c3n2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.52
ERBB2 P04626 3/20 0.43
KCNH2 Q12809 1/20 0.43
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
SCHEMBL30140389 1.00 EGFR (0.52) EGFRERBB2KCNH2GPR119PIK3CD
SCHEMBL30140406 1.00 EGFR (0.52) EGFRERBB2KCNH2GPR119PIK3CD
SCHEMBL30140268 0.96 EGFR (0.48) EGFRERBB2KCNH2GPR119PIK3CD
SCHEMBL30140135 0.96 EGFR (0.47) EGFRERBB2KCNH2GPR119PIK3CD
SCHEMBL30140316 0.94 EGFR (0.48) EGFRERBB2KCNH2GPR119PIK3CD
SCHEMBL30140116 0.91 EPHA2 (0.44) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140114 0.90 EGFR (0.42) EGFRERBB2GPR119PIK3CDPIK3CA
SCHEMBL30140332 0.89 EGFR (0.47) EGFRERBB2KCNH2GPR119PIK3CD
SCHEMBL30140359 0.89 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL30140204 0.89 EGFR (0.46) EGFRERBB2KCNH2GPR119PIK3CD

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