SCHEMBL7470831

SCHEMBL7470831

O=[N+]([O-])c1cc2c(NCCc3cccc(F)c3)ncnc2cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
CLK4 Q9HAZ1 2/20 0.47
HTT P42858 3/20 0.47
NTRK1 P04629 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
PRKCQ Q04759 1/20 0.45
MAPT P10636 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
MAPK1 P28482 1/20 0.43
NR2F2 P24468 1/20 0.43
AURKA O14965 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
SCHEMBL7462734 0.90 EGFR (0.55) EGFRHTTNTRK1CNR1CNR2
SCHEMBL7469106 0.90 CLK4 (0.58) EGFRCLK4HTTCNR1CNR2
SCHEMBL7464363 0.89 HTT (0.54) EGFRHTTNTRK1CNR1CNR2
SCHEMBL7474181 0.89 MAPK1 (0.56) EGFRHTTCNR1CNR2MAPT
SCHEMBL7467508 0.85 MAPK1 (0.52) EGFRCLK4HTTMAPTMAPK1
SCHEMBL7469664 0.84 HTT (0.63) EGFRHTTNTRK1CNR1CNR2
SCHEMBL7467125 0.84 EGFR (0.51) EGFRCLK4HTTCNR1CNR2
SCHEMBL7469795 0.83 EGFR (0.60) EGFRHTTNTRK1CNR1CNR2
SCHEMBL7528662 0.83 EGFR (0.52) EGFRHTTNTRK1CNR1CNR2
SCHEMBL7474806 0.83 EGFR (0.52) EGFRHTTNTRK1PRKCQMAPT

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