SCHEMBL7470641

SCHEMBL7470641

N#Cc1ccc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
MERTK Q12866 2/20 0.47
PDE5A O76074 1/20 0.47
CDK1 P06493 2/20 0.47
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
VCAM1 P19320 1/20 0.44

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
SCHEMBL7473179 0.88 MAPK1 (0.58) EGFRMAPK1LMNA
SCHEMBL7472725 0.87 EGFR (0.61) EGFRMAPK1
SCHEMBL7461665 0.86 USP10 (0.59) EGFRMAPK1LMNA
SCHEMBL7465009 0.86 HTT (0.57) EGFRMAPK1ALDH1A1LMNA
SCHEMBL7473897 0.86 EGFR (0.55) EGFRMAPK1
SCHEMBL7475194 0.86 EGFR (0.66) EGFRMAPK1LMNATSHR
SCHEMBL7474668 0.83 HTT (0.63) EGFRPDE5AMAPK1ALDH1A1LMNA
SCHEMBL7469854 0.83 EGFR (0.56) EGFRMAPK1LMNA
SCHEMBL7460787 0.82 EGFR (0.51) EGFRMAPK1
SCHEMBL7475448 0.82 EGFR (0.56) EGFRLMNA

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
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed