SCHEMBL7472380

SCHEMBL7472380

CC(CNc1ncnc2cc(Cl)c([N+](=O)[O-])cc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
PGK1 P00558 1/20 0.42
MAP4K4 O95819 1/20 0.41
PDGFRB P09619 1/20 0.41
SCN1A P35498 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL7474113 0.90 EGFR (0.55) EGFRMAPTABCG2PGK1PDGFRB
SCHEMBL7475194 0.81 EGFR (0.66) EGFRHTT
SCHEMBL7473900 0.81 EGFR (0.56) EGFRMAPTABCG2PDGFRB
SCHEMBL7457697 0.81 EGFR (0.62) EGFRMAPTMEN1KMT2APDGFRB
SCHEMBL7468297 0.80 SMN1; SMN2 (0.44) EGFRMAPTKMT2AABCG2
SCHEMBL7474181 0.80 MAPK1 (0.56) EGFRMAPTHTT
SCHEMBL7474842 0.78 RXFP1 (0.62) EGFRHTTABCG2PGK1
SCHEMBL7471567 0.78 PIK3CD (0.62) EGFRMAPTHTT
SCHEMBL7529433 0.78 EGFR (0.51) EGFRMAPTMEN1CYP1A2CYP3A4
SCHEMBL7470644 0.77 EGFR (0.53) EGFRABCG2PDGFRB

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