SCHEMBL7468699

SCHEMBL7468699

N#Cc1ccc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.44
EGFR P00533 3/20 0.43
HTR6 P50406 2/20 0.42
CDK1 P06493 4/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ABCB1 P08183 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7475684 0.90 EGFR (0.53) EGFRHTR6ALDH1A1LMNAGAA
SCHEMBL7458928 0.89 EGFR (0.47) EGFRHTR6ALDH1A1LMNAGAA
SCHEMBL7465445 0.89 HTR6 (0.55) EGFRHTR6TP53MAPK1WDR5
SCHEMBL7463091 0.89 USP10 (0.50) EGFRHTR6ALDH1A1LMNATP53
SCHEMBL7466331 0.89 ALDH1A1 (0.48) PDE5AEGFRHTR6ALDH1A1LMNA
SCHEMBL7468826 0.89 EGFR (0.56) EGFRHTR6ALDH1A1LMNATSHR
SCHEMBL7525155 0.87 EGFR (0.48) EGFRHTR6LMNAMAPTKMT2A
SCHEMBL7459198 0.87 MEN1 (0.53) PDE5AEGFRALDH1A1LMNAMAPK1
SCHEMBL7473662 0.86 USP10 (0.47) EGFRHTR6ALDH1A1LMNAGAA
SCHEMBL7465224 0.86 MAPT (0.44) EGFRHTR6ALDH1A1LMNAGAA

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