SCHEMBL7469795

SCHEMBL7469795

O=[N+]([O-])c1cc2c(NCCc3ccc(Br)cc3)ncnc2cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.60
HTT P42858 6/20 0.53
NR2F2 P24468 1/20 0.49
PDE5A O76074 1/20 0.46
MAPK1 P28482 3/20 0.44
MEN1 O00255 1/20 0.44
STAT3 P40763 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NTRK1 P04629 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
FBP1 P09467 1/20 0.43
LMNA P02545 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL7469664 0.92 HTT (0.63) EGFRHTTNR2F2PDE5AMAPK1
SCHEMBL7474665 0.90 HTT (0.62) EGFRHTTNR2F2PDE5AMAPK1
SCHEMBL7475626 0.90 HTT (0.52) EGFRHTTNR2F2PDE5AMAPK1
SCHEMBL7464363 0.90 HTT (0.54) EGFRHTTNR2F2PDE5AMAPK1
SCHEMBL7474181 0.90 MAPK1 (0.56) EGFRHTTNR2F2MAPK1SMN1; SMN2
SCHEMBL7528662 0.89 EGFR (0.52) EGFRHTTNR2F2PDE5AMAPK1
SCHEMBL7465161 0.88 PDE5A (0.52) EGFRHTTPDE5AMAPK1MEN1
SCHEMBL7462734 0.85 EGFR (0.55) EGFRHTTNR2F2MAPK1MEN1
SCHEMBL7463417 0.84 EGFR (0.49) EGFRHTTNR2F2NTRK1CNR1
SCHEMBL7471567 0.84 PIK3CD (0.62) EGFRHTTMAPK1CNR1CNR2

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