SCHEMBL30140193

SCHEMBL30140193

Clc1cc(Nc2ncnc3ccc(O[C@H]4CCNC4)nc23)cc(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
ERBB2 P04626 3/20 0.42
EPHA2 P29317 3/20 0.37
KDR P35968 3/20 0.37
FGFR1 P11362 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
EPHB4 P54760 1/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL30140124 0.85 ERBB2 (0.49) EGFRERBB2EPHA2KDRFLT1
SCHEMBL30140323 0.84 EGFR (0.39) EGFRERBB2KDRFGFR1FLT1
SCHEMBL30140186 0.84 EGFR (0.45) EGFRERBB2CHRNB2CHRNA4
SCHEMBL30140360 0.80 EGFR (0.45) EGFRERBB2EPHA2KDRFGFR1
SCHEMBL30140321 0.79 EGFR (0.46) EGFRERBB2EPHA2KDREPHB4
SCHEMBL30140192 0.79 EGFR (0.63) EGFRERBB2
SCHEMBL30140339 0.78 EGFR (0.41) EGFRERBB2EPHA2KDRFGFR1
SCHEMBL30140400 0.77 EGFR (0.42) EGFRERBB2CHRNB2CHRNA4
SCHEMBL30140153 0.76 EGFR (0.43) EGFRERBB2EPHA2KDRFGFR1
SCHEMBL30140058 0.75 EGFR (0.43) EGFRERBB2EPHA2KDRFGFR1

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