SCHEMBL8796546

SCHEMBL8796546

CCNc1cc2ncnc(NCc3ccccc3CN(CC)CC)c2cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.51
PDGFRB P09619 1/20 0.43
MAPK1 P28482 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 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
SCHEMBL8795549 0.91 EGFR (0.52) EGFRPDGFRBMAPK1ABCG2ALDH1A1
SCHEMBL8795439 0.91 EGFR (0.48) EGFRPDGFRBMAPK1ABCG2FBP1
SCHEMBL7520053 0.88 EGFR (0.56) EGFRPDGFRBMAPK1ABCG2FBP1
SCHEMBL8796440 0.87 EGFR (0.53) EGFRPDGFRBMAPK1ABCG2FBP1
SCHEMBL8796404 0.87 EGFR (0.47) EGFRPDGFRBMAPK1FBP1ALDH1A1
SCHEMBL8795886 0.86 MAPK1 (0.47) EGFRPDGFRBMAPK1ABCG2ALDH1A1
SCHEMBL7520151 0.85 EGFR (0.53) EGFRPDGFRBMAPK1ABCG2FBP1
SCHEMBL7519922 0.85 EGFR (0.58) EGFRPDGFRBMAPK1ABCG2ALDH1A1
SCHEMBL8796953 0.85 MAPK1 (0.46) EGFRPDGFRBMAPK1ABCG2ALDH1A1
SCHEMBL8825686 0.85 EGFR (0.52) EGFRPDGFRBMAPK1ABCG2FBP1

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-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed