SCHEMBL7470683

SCHEMBL7470683

O=[N+]([O-])c1cc2c(NCc3ccccn3)ncnc2cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
EGFR P00533 6/20 0.54
CTSB P07858 1/20 0.48
DYRK1A Q13627 1/20 0.47
PKM P14618 1/20 0.45
MAPK1 P28482 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7461530 0.89 PKM (0.56) KDM4EALDH1A1HPGDEGFRPKM
SCHEMBL7475194 0.85 EGFR (0.66) KDM4EHPGDEGFRMAPK1LMNA
SCHEMBL8825812 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDEGFRCTSB
SCHEMBL7474842 0.82 RXFP1 (0.62) KDM4EALDH1A1HPGDEGFRMAPK1
SCHEMBL7465660 0.82 EGFR (0.56) KDM4EALDH1A1EGFRMAPK1MAPT
SCHEMBL7473179 0.81 MAPK1 (0.58) EGFRMAPK1MAPTLMNA
SCHEMBL7469892 0.81 EGFR (0.55) KDM4EALDH1A1EGFRMAPK1AURKA
SCHEMBL21835307 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDEGFRCTSB
SCHEMBL7457697 0.80 EGFR (0.62) EGFRMAPTGAAKMT2A
SCHEMBL7472725 0.80 EGFR (0.61) EGFRMAPK1AURKARPS6KB1

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