SCHEMBL8796180

SCHEMBL8796180

CCNc1cc2ncnc(NCc3ccccc3C(C)N3CCN(C)CC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
PDGFRB P09619 1/20 0.43
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MET P08581 1/20 0.39
FBP1 P09467 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
EIF2AK2 P19525 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8796303 0.91 EGFR (0.46) EGFRPDGFRBMAPK1L3MBTL1FBP1
SCHEMBL8796323 0.86 EGFR (0.48) EGFRPDGFRBMAPK1L3MBTL1MET
SCHEMBL7527938 0.85 PDGFRB (0.49) EGFRPDGFRBMAPK1L3MBTL1MET
SCHEMBL8796332 0.85 EGFR (0.50) EGFRPDGFRBMAPK1FBP1ABCG2
SCHEMBL8795620 0.83 EGFR (0.45) EGFRPDGFRBMAPK1L3MBTL1MET
SCHEMBL7521565 0.82 PDGFRB (0.47) EGFRPDGFRBMAPK1L3MBTL1MET
SCHEMBL8796494 0.82 MAPK1 (0.44) EGFRPDGFRBMAPK1L3MBTL1ABCG2
SCHEMBL7520053 0.81 EGFR (0.56) EGFRPDGFRBMAPK1FBP1ABCG2
SCHEMBL7519922 0.81 EGFR (0.58) EGFRPDGFRBMAPK1ABCG2ALDH1A1
SCHEMBL8795810 0.81 EGFR (0.49) EGFRPDGFRBMAPK1L3MBTL1ABCG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698560-A TREATMENT OF CARDIOVASCULAR DISORDERS; ANTICOAGULANTS; CARDIOTONIC AGENTS; HYPOTENSIVE AGENTS; ARTERIOSCLEROSIS; CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed