SCHEMBL30140316

SCHEMBL30140316

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.48
GPR119 Q8TDV5 3/20 0.43
PIK3CD O00329 5/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
ERBB2 P04626 3/20 0.39
KCNH2 Q12809 1/20 0.39
KDR P35968 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38

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 0.94 EGFR (0.52) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140139 0.94 EGFR (0.52) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140406 0.94 EGFR (0.52) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140318 0.93 GPR119 (0.46) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140268 0.91 EGFR (0.48) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140160 0.90 GPR119 (0.45) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140135 0.90 EGFR (0.47) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140128 0.90 GPR119 (0.49) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140079 0.90 GPR119 (0.49) EGFRGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL30140117 0.89 EGFR (0.58) EGFRERBB2KCNH2

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