SCHEMBL30140299

SCHEMBL30140299

CC(C)(C)OC(=O)N1CC[C@H](Oc2ncc3ncnc(Nc4ccc(OCC5CC5)c(Cl)c4F)c3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.44
EGFR P00533 14/20 0.44
ERBB2 P04626 3/20 0.44
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 3/20 0.41
EPHA2 P29317 2/20 0.41
KDR P35968 2/20 0.41
RIPK2 O43353 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
EPHB2 P29323 1/20 0.40
TEC P42680 1/20 0.40
EPHA4 P54764 1/20 0.40
BTK Q06187 1/20 0.40
KCNH2 Q12809 1/20 0.40
TNK1 Q13470 1/20 0.40
RIPK3 Q9Y572 1/20 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
SCHEMBL30140305 1.00 GPR119 (0.44) GPR119EGFRERBB2PIK3CDPIK3CA
SCHEMBL30140238 0.90 EGFR (0.46) GPR119EGFRERBB2PIK3CDEPHB4
SCHEMBL30140361 0.90 EGFR (0.46) GPR119EGFRERBB2PIK3CDEPHB4
SCHEMBL30140252 0.89 GPR119 (0.52) GPR119EGFRERBB2PIK3CDPIK3CA
SCHEMBL30140196 0.88 EGFR (0.56) EGFRERBB2EPHB4RIPK2RET
SCHEMBL30140057 0.88 EGFR (0.56) EGFRERBB2EPHB4RIPK2RET
SCHEMBL30140135 0.87 EGFR (0.47) GPR119EGFRERBB2PIK3CDPIK3CA
SCHEMBL30140185 0.87 EGFR (0.50) GPR119EGFRERBB2PIK3CDEPHB4
SCHEMBL30140114 0.86 EGFR (0.42) GPR119EGFRERBB2PIK3CDPIK3CA
SCHEMBL30140318 0.85 GPR119 (0.46) GPR119EGFRERBB2PIK3CDPIK3CA

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