SCHEMBL7469854

SCHEMBL7469854

O=[N+]([O-])c1cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc2cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.56
CNR1 P21554 3/20 0.56
LMNA P02545 1/20 0.48
AURKA O14965 3/20 0.46
RPS6KB1 P23443 3/20 0.46
AURKB Q96GD4 2/20 0.46
MAPK1 P28482 1/20 0.45
USP10 Q14694 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
USP13 Q92995 1/20 0.45
CNR2 P34972 1/20 0.44

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
SCHEMBL7461665 0.88 USP10 (0.59) EGFRCNR1LMNAMAPK1USP10
SCHEMBL7473179 0.88 MAPK1 (0.58) EGFRCNR1LMNAMAPK1CNR2
SCHEMBL7472725 0.87 EGFR (0.61) EGFRAURKARPS6KB1MAPK1USP10
SCHEMBL7473897 0.86 EGFR (0.55) EGFRMAPK1USP10PIK3C3USP13
SCHEMBL7465009 0.86 HTT (0.57) EGFRLMNAMAPK1
SCHEMBL7475194 0.86 EGFR (0.66) EGFRLMNAMAPK1
SCHEMBL7460787 0.84 EGFR (0.51) EGFRCNR1AURKARPS6KB1MAPK1
SCHEMBL7474668 0.83 HTT (0.63) EGFRLMNAMAPK1
SCHEMBL7470641 0.83 EGFR (0.50) EGFRLMNAMAPK1
SCHEMBL7469106 0.81 CLK4 (0.58) EGFRCNR1LMNAAURKARPS6KB1

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