SCHEMBL7467801

SCHEMBL7467801

O=[N+]([O-])c1cc2c(Nc3ccc4c(c3)OCO4)ncnc2cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.63
MAPT P10636 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
PRMT1 Q99873 1/20 0.52
ERBB2 P04626 1/20 0.48
ABL1 P00519 2/20 0.48
PDGFRB P09619 2/20 0.48
FGFR1 P11362 2/20 0.48
SRC P12931 2/20 0.48
KDR P35968 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7802761 0.83 EGFR (0.72) EGFRERBB2KDRABCG2
SCHEMBL7475093 0.83 PDE5A (0.68) MEN1ALDH1A1KMT2APDE5A
SCHEMBL7474860 0.81 KMT2A (0.53) EGFRMAPTMEN1ALDH1A1HTT
SCHEMBL1366535 0.81 EGFR (0.68) EGFRERBB2PDGFRBKDR
SCHEMBL30294136 0.81 EGFR (0.68) EGFRERBB2PDGFRBKDR
SCHEMBL7466349 0.80 EGFR (0.67) EGFRABCG2
SCHEMBL7461202 0.80 PDE5A (0.53) MEN1ALDH1A1KMT2APDE5A
Hydrochloric Acid SCHEMBL8314953 0.80 EGFR (0.67) EGFRERBB2PDGFRBKDR
SCHEMBL7474841 0.79 PDE5A (0.48) EGFRMAPTMEN1ALDH1A1KMT2A
SCHEMBL8667642 0.78 EGFR (0.66) EGFRMAPTMEN1ALDH1A1HTT

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