SCHEMBL30140251

SCHEMBL30140251

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(Cl)c(OCC5CC5)c4)c3n2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.56
ERBB2 P04626 5/20 0.56
EPHA2 P29317 6/20 0.48
EPHB4 P54760 4/20 0.48
KDR P35968 3/20 0.45
PIK3CD O00329 5/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL30140181 0.89 EGFR (0.54) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140330 0.88 GPR119 (0.47) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140336 0.88 ERBB2 (0.49) EGFRERBB2EPHA2EPHB4PIK3CD
SCHEMBL30140465 0.88 EGFR (0.71) EGFRERBB2
SCHEMBL30140307 0.87 EGFR (0.52) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140112 0.87 EGFR (0.52) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140085 0.87 EGFR (0.60) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140071 0.85 EGFR (0.55) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL30140208 0.85 EGFR (0.57) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL22598569 0.83 ERBB2 (0.73) EGFRERBB2EPHA2EPHB4KDR

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