SCHEMBL7464363

SCHEMBL7464363

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.54
EGFR P00533 3/20 0.51
NR2F2 P24468 1/20 0.48
NTRK1 P04629 2/20 0.47
PDE5A O76074 1/20 0.46
USP10 Q14694 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
USP13 Q92995 1/20 0.46
AURKA O14965 1/20 0.45
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
STAT3 P40763 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ERBB2 P04626 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
SCHEMBL7463417 0.94 EGFR (0.49) HTTEGFRNR2F2NTRK1USP10
SCHEMBL7469664 0.91 HTT (0.63) HTTEGFRNR2F2NTRK1PDE5A
SCHEMBL7469795 0.90 EGFR (0.60) HTTEGFRNR2F2NTRK1PDE5A
SCHEMBL7474665 0.89 HTT (0.62) HTTEGFRNR2F2NTRK1PDE5A
SCHEMBL7475626 0.89 HTT (0.52) HTTEGFRNR2F2NTRK1PDE5A
SCHEMBL7461665 0.89 USP10 (0.59) HTTEGFRUSP10PIK3C3USP13
SCHEMBL7474181 0.89 MAPK1 (0.56) HTTEGFRNR2F2MAPK1SMN1; SMN2
SCHEMBL7470831 0.89 EGFR (0.53) HTTEGFRNR2F2NTRK1AURKA
SCHEMBL7528662 0.88 EGFR (0.52) HTTEGFRNR2F2NTRK1PDE5A
SCHEMBL7465161 0.87 PDE5A (0.52) HTTEGFRPDE5AAURKAMAPK1

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