SCHEMBL8796483

SCHEMBL8796483

CCNc1cc2ncnc(NCc3ccc(OCCN4CCN(C)CC4)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
AURKA O14965 4/20 0.44
RPS6KB1 P23443 3/20 0.44
AURKB Q96GD4 2/20 0.44
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 4/20 0.41
EGFR P00533 2/20 0.40
PIK3CA P42336 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
SCHEMBL8795306 0.95 PDGFRB (0.45) PDGFRBAURKARPS6KB1AURKBMEN1
SCHEMBL8796096 0.94 RPS6KB1 (0.46) PDGFRBAURKARPS6KB1MEN1KMT2A
SCHEMBL8796525 0.94 PDGFRB (0.46) PDGFRBAURKARPS6KB1AURKBMAPK1
SCHEMBL8795890 0.93 PIK3CA (0.47) PDGFRBAURKARPS6KB1AURKBMEN1
SCHEMBL8796031 0.92 AURKA (0.48) PDGFRBAURKARPS6KB1AURKBMEN1
SCHEMBL8827440 0.91 PDGFRB (0.44) PDGFRBAURKARPS6KB1AURKBMEN1
SCHEMBL8796335 0.89 MAPK1 (0.45) PDGFRBAURKARPS6KB1AURKBMAPK1
SCHEMBL8795496 0.88 AURKA (0.49) PDGFRBAURKARPS6KB1AURKBEGFR
SCHEMBL8795542 0.87 AURKA (0.47) PDGFRBAURKARPS6KB1AURKBEGFR
SCHEMBL7528397 0.85 MAPK1 (0.57) PDGFRBMAPK1L3MBTL1HTR6EGFR

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