SCHEMBL8796335

SCHEMBL8796335

CCNc1cc2ncnc(NCc3ccc(CN4CCN(C)CC4)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 2/20 0.44
EGFR P00533 4/20 0.43
PDGFRB P09619 1/20 0.43
SIRT6 Q8N6T7 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CDK1 P06493 1/20 0.40
ERBB2 P04626 1/20 0.39
PIK3CA P42336 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
SCHEMBL8796240 0.93 EGFR (0.45) MAPK1EGFRPDGFRBERBB2PIK3CA
SCHEMBL8796234 0.92 PIK3CA (0.45) MAPK1EGFRPDGFRBERBB2PIK3CA
SCHEMBL8796603 0.90 LMNA (0.44) L3MBTL1EGFRPDGFRBSMN1; SMN2CDK1
SCHEMBL7528397 0.89 MAPK1 (0.57) MAPK1L3MBTL1HTR6EGFRPDGFRB
SCHEMBL8796483 0.89 PDGFRB (0.45) MAPK1L3MBTL1HTR6EGFRPDGFRB
SCHEMBL8796323 0.89 EGFR (0.48) MAPK1L3MBTL1EGFRPDGFRBSIRT6
SCHEMBL8796541 0.86 EGFR (0.47) MAPK1EGFRPDGFRB
SCHEMBL8795620 0.85 EGFR (0.45) MAPK1L3MBTL1EGFRPDGFRBSIRT6
SCHEMBL8825977 0.85 MAPK1 (0.55) MAPK1L3MBTL1EGFRERBB2
SCHEMBL8795306 0.84 PDGFRB (0.45) EGFRPDGFRBAURKARPS6KB1AURKB

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