SCHEMBL7469700

SCHEMBL7469700

O=[N+]([O-])c1cc2c(NCCc3ccccc3Cl)ncnc2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
MAPK1 P28482 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HTT P42858 2/20 0.42
PRKCQ Q04759 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 1/20 0.41
PGK1 P00558 1/20 0.41
CNR1 P21554 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
SCHEMBL7474806 0.91 EGFR (0.52) EGFRMAPK1KDM4EALDH1A1HTT
SCHEMBL7465156 0.88 MAPK1 (0.53) EGFRMAPK1KDM4EALDH1A1CYP1A2
SCHEMBL7474181 0.88 MAPK1 (0.56) EGFRMAPK1HTTMAPTPIK3CD
SCHEMBL7461530 0.85 PKM (0.56) EGFRMAPK1KDM4EALDH1A1HTT
SCHEMBL7463424 0.85 EGFR (0.50) EGFRMAPK1KDM4EALDH1A1PRKCQ
SCHEMBL7457697 0.84 EGFR (0.62) EGFRMAPT
SCHEMBL7471567 0.84 PIK3CD (0.62) EGFRMAPK1HTTMAPTPIK3CD
SCHEMBL7469664 0.83 HTT (0.63) EGFRMAPK1HTTMAPTPIK3CD
SCHEMBL7468426 0.83 WDR5 (0.42) EGFRMAPK1KDM4EALDH1A1CYP1A2
SCHEMBL7462734 0.83 EGFR (0.55) EGFRMAPK1HTTMAPTPIK3CD

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