SCHEMBL8796269

SCHEMBL8796269

CCNc1cc2ncnc(NCc3ccccc3OCCN3CCCCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
PDGFRB P09619 1/20 0.44
MAPK1 P28482 1/20 0.44
EGFR P00533 4/20 0.44
KDR P35968 7/20 0.42
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
EPHA2 P29317 2/20 0.41
EPHB4 P54760 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 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
SCHEMBL8796533 0.96 PIK3CA (0.45) PIK3CAPDGFRBMAPK1EGFRKDR
SCHEMBL8795731 0.95 PIK3CA (0.45) PIK3CAPDGFRBMAPK1EGFRKDR
SCHEMBL8796494 0.94 MAPK1 (0.44) PDGFRBMAPK1EGFRKDRALDH1A1
SCHEMBL8796285 0.92 SRC (0.47) PDGFRBMAPK1EGFRKDREPHA2
SCHEMBL8795326 0.88 SRC (0.52) EGFRKDRKDM4E
SCHEMBL8796374 0.88 SRC (0.49) EGFRKDRKDM4EFGFR1FLT1
SCHEMBL8796375 0.88 EGFR (0.48) PIK3CAPDGFRBMAPK1EGFRALDH1A1
SCHEMBL8795810 0.87 EGFR (0.49) PIK3CAPDGFRBMAPK1EGFRALDH1A1
SCHEMBL8795418 0.86 MAPK1 (0.49) PDGFRBMAPK1EGFRALDH1A1LMNA
SCHEMBL8795890 0.85 PIK3CA (0.47) PIK3CAPDGFRBEGFRLTA4HPTGS1

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