SCHEMBL8796533

SCHEMBL8796533

CCNc1cc2ncnc(NCc3ccccc3OCCCN3CCCCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
PDGFRB P09619 1/20 0.44
MAPK1 P28482 1/20 0.44
EGFR P00533 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SRC P12931 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 4/20 0.41
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL8795731 0.98 PIK3CA (0.45) PIK3CAPDGFRBMAPK1EGFRL3MBTL1
SCHEMBL8796269 0.96 PIK3CA (0.46) PIK3CAPDGFRBMAPK1EGFRL3MBTL1
SCHEMBL8795326 0.92 SRC (0.52) EGFRSRCKDM4EKDRCYP1A2
SCHEMBL8796374 0.90 SRC (0.49) EGFRSRCKDM4EKDRFGFR1
SCHEMBL8796494 0.90 MAPK1 (0.44) PDGFRBMAPK1EGFRL3MBTL1KDM4E
SCHEMBL8796285 0.88 SRC (0.47) PDGFRBMAPK1EGFRSRCKDM4E
SCHEMBL8796375 0.87 EGFR (0.48) PIK3CAPDGFRBMAPK1EGFRL3MBTL1
SCHEMBL8795810 0.86 EGFR (0.49) PIK3CAPDGFRBMAPK1EGFRL3MBTL1
SCHEMBL8795418 0.85 MAPK1 (0.49) PDGFRBMAPK1EGFRKDM4EALDH1A1
SCHEMBL8796516 0.85 MAPK1 (0.47) PDGFRBMAPK1EGFRKDM4EALDH1A1

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