SCHEMBL30140137

SCHEMBL30140137

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.46
ERBB2 P04626 5/20 0.46
PIK3CD O00329 3/20 0.45
GPR119 Q8TDV5 1/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
RIPK2 O43353 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
EPHB2 P29323 1/20 0.43
TEC P42680 1/20 0.43
EPHB4 P54760 1/20 0.43
EPHA4 P54764 1/20 0.43
BTK Q06187 1/20 0.43
KCNH2 Q12809 1/20 0.43
TNK1 Q13470 1/20 0.43
RIPK3 Q9Y572 1/20 0.43

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
SCHEMBL30140059 0.94 PIK3CD (0.47) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140259 0.94 EGFR (0.48) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140183 0.92 EGFR (0.46) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140428 0.92 EGFR (0.47) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140238 0.91 EGFR (0.46) EGFRERBB2PIK3CDGPR119RIPK2
SCHEMBL30140361 0.91 EGFR (0.46) EGFRERBB2PIK3CDGPR119RIPK2
SCHEMBL30140113 0.91 EGFR (0.46) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140204 0.91 EGFR (0.46) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140439 0.90 EGFR (0.55) EGFRERBB2PIK3CDGPR119PIK3CA
SCHEMBL30140275 0.89 EGFR (0.48) EGFRERBB2PIK3CDGPR119PIK3CA

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