SCHEMBL7469664

SCHEMBL7469664

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.63
NR2F2 P24468 1/20 0.56
EGFR P00533 1/20 0.53
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE5A O76074 1/20 0.47
NTRK1 P04629 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL7469795 0.92 EGFR (0.60) HTTNR2F2EGFRCNR1CNR2
SCHEMBL7464363 0.91 HTT (0.54) HTTNR2F2EGFRCNR1CNR2
SCHEMBL7475626 0.91 HTT (0.52) HTTNR2F2EGFRMEN1KMT2A
SCHEMBL7474665 0.91 HTT (0.62) HTTNR2F2EGFRCNR1CNR2
SCHEMBL7474181 0.91 MAPK1 (0.56) HTTNR2F2EGFRCNR1CNR2
SCHEMBL7528662 0.90 EGFR (0.52) HTTNR2F2EGFRCNR1CNR2
SCHEMBL7473179 0.89 MAPK1 (0.58) HTTEGFRCNR1CNR2MAPT
SCHEMBL7465161 0.89 PDE5A (0.52) HTTEGFRMAPTMEN1KMT2A
SCHEMBL7462734 0.88 EGFR (0.55) HTTNR2F2EGFRCNR1CNR2
SCHEMBL7463417 0.85 EGFR (0.49) HTTNR2F2EGFRCNR1CNR2

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