SCHEMBL8781995

SCHEMBL8781995

Fc1ccc(Nc2ncnc3ccc(-c4cc[nH]n4)cc23)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.64
CD38 P28907 1/20 0.62
RAF1 P04049 1/20 0.62
BRAF P15056 1/20 0.62
ERBB2 P04626 5/20 0.60
ERBB4 Q15303 2/20 0.60
FBP1 P09467 2/20 0.57
AURKA O14965 1/20 0.57
INSR P06213 1/20 0.57
PDGFRB P09619 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
CLK1 P49759 1/20 0.57
EPHB4 P54760 1/20 0.57
TEK Q02763 1/20 0.57
AURKB Q96GD4 1/20 0.57
GRM1 Q13255 1/20 0.55

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
SCHEMBL17845958 0.83 EGFR (0.66) EGFRCD38RAF1BRAFERBB2
SCHEMBL6189936 0.83 EGFR (0.64) EGFRCD38RAF1BRAFERBB2
SCHEMBL30301816 0.83 EGFR (0.66) EGFRCD38RAF1BRAFERBB2
SCHEMBL8782158 0.83 EGFR (0.64) EGFRCD38RAF1BRAFERBB2
SCHEMBL27757157 0.83 EGFR (0.64) EGFRCD38RAF1BRAFERBB2
SCHEMBL6190465 0.82 EGFR (0.67) EGFRCD38RAF1BRAFERBB2
SCHEMBL27757000 0.82 EGFR (0.67) EGFRCD38RAF1BRAFERBB2
SCHEMBL6188954 0.81 EGFR (0.64) EGFRCD38RAF1BRAFERBB2
SCHEMBL29667010 0.80 EGFR (0.61) EGFRCD38RAF1BRAFERBB2
SCHEMBL17858789 0.80 EGFR (0.61) EGFRCD38RAF1BRAFERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed