SCHEMBL7470191

SCHEMBL7470191

O=[N+]([O-])c1cc2c(NCc3cccc4ccccc34)ncnc2cc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
ACHE P22303 1/20 0.47
FYN P06241 1/20 0.45
SRC P12931 1/20 0.45
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 2/20 0.41
WDR5 P61964 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 3/20 0.39
PIK3CB P42338 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL7469725 0.89 ALDH1A1 (0.50) EGFRACHEAURKARPS6KB1MAPT
SCHEMBL7461647 0.89 EGFR (0.48) EGFRAURKARPS6KB1MAPTWDR5
SCHEMBL7468826 0.86 EGFR (0.56) EGFRMAPTHTR6
SCHEMBL7466276 0.86 MAPK1 (0.56) EGFRACHEMAPTKMT2A
SCHEMBL7469783 0.84 ALDH1A1 (0.48) EGFRMAPTWDR5KMT2AHTR6
SCHEMBL7470206 0.83 EGFR (0.52) EGFRMAPTHTR6
SCHEMBL7470232 0.82 CLK4 (0.46) EGFRSRCAURKARPS6KB1AURKB
SCHEMBL7469830 0.82 HTR6 (0.44) EGFRACHEMAPTWDR5KMT2A
SCHEMBL7475684 0.82 EGFR (0.53) EGFRMAPTWDR5KMT2AHTR6
SCHEMBL7474960 0.82 MAPT (0.43) EGFRMAPTWDR5KMT2AHTR6

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