SCHEMBL8796285

SCHEMBL8796285

CCNc1cc2ncnc(NCc3ccccc3OCCN3CCOCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.47
EGFR P00533 8/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 3/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
EPHA2 P29317 1/20 0.42
EPHB4 P54760 1/20 0.42

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
SCHEMBL8795326 0.96 SRC (0.52) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8796374 0.95 SRC (0.49) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8796494 0.92 MAPK1 (0.44) EGFRPDGFRBKDRMAPK1KDM4E
SCHEMBL8796269 0.92 PIK3CA (0.46) EGFRPDGFRBKDRMAPK1KDM4E
SCHEMBL8796533 0.88 PIK3CA (0.45) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8796308 0.88 EGFR (0.47) EGFRCYP1A2CYP2D6CYP2C19USP2
SCHEMBL8795731 0.88 PIK3CA (0.45) SRCEGFRCYP2D6CYP2C19PDGFRB
SCHEMBL7519162 0.88 CYP1A2 (0.47) EGFRCYP1A2CYP2D6CYP2C19USP2
SCHEMBL8795363 0.87 PDGFRB (0.43) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8070330 0.86 ALDH1A1 (0.49) SRCEGFRCYP1A2CYP2D6CYP2C19

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