SCHEMBL30140322

SCHEMBL30140322

CC(C)(C)OC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(OC(F)F)c(Cl)c4)ncnc3cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.54
ERBB2 P04626 6/20 0.51
EPHA2 P29317 2/20 0.49
EPHB4 P54760 2/20 0.49
KDR P35968 1/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL30140220 0.88 EGFR (0.69) EGFRERBB2
SCHEMBL30140173 0.84 EGFR (0.47) EGFRERBB2EPHA2EPHB4PIK3CD
SCHEMBL30126548 0.82 EPHA2 (0.49) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140280 0.81 EGFR (0.57) EGFRERBB2EPHA2EPHB4
SCHEMBL30140071 0.80 EGFR (0.55) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140205 0.80 ERBB2 (0.51) EGFRERBB2PIK3CDPIK3CAPIK3CB
SCHEMBL1446457 0.80 EGFR (0.72) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140208 0.79 EGFR (0.57) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL29465788 0.78 EGFR (0.73) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140141 0.78 PIK3CD (0.53) EGFRPIK3CDPIK3CAPIK3CBPIK3CG

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