SCHEMBL30140173

SCHEMBL30140173

CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3c(Nc4ccc(OC(F)F)c(Cl)c4)ncnc3cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.47
GPR119 Q8TDV5 1/20 0.46
PIK3CD O00329 5/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
ERBB2 P04626 4/20 0.44
EPHA2 P29317 1/20 0.43
EPHB4 P54760 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
SCHEMBL30140174 0.88 GPR119 (0.51) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140120 0.88 EGFR (0.57) EGFRERBB2
SCHEMBL30140215 0.88 GPR119 (0.52) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140434 0.87 GPR119 (0.47) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140322 0.84 EGFR (0.54) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30140205 0.84 ERBB2 (0.51) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140301 0.83 GPR119 (0.55) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL23570650 0.82 GPR119 (0.52) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140071 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30140351 0.81 EGFR (0.48) EGFRGPR119PIK3CDPIK3CAPIK3CB

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