SCHEMBL8796374

SCHEMBL8796374

CCNc1cc2ncnc(NCc3ccccc3OCCCCN3CCOCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.49
EGFR P00533 6/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDR P35968 5/20 0.46
KDM4E B2RXH2 1/20 0.46
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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 0.98 SRC (0.52) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8796285 0.95 SRC (0.47) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8795731 0.92 PIK3CA (0.45) SRCEGFRCYP2D6CYP2C19KDR
SCHEMBL8796533 0.90 PIK3CA (0.45) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8070330 0.88 ALDH1A1 (0.49) SRCEGFRCYP1A2CYP2D6CYP2C19
SCHEMBL8796494 0.88 MAPK1 (0.44) EGFRKDRKDM4EFGFR1FLT1
SCHEMBL8796269 0.88 PIK3CA (0.46) EGFRKDRKDM4EFGFR1FLT1
SCHEMBL8796308 0.87 EGFR (0.47) EGFRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL8795542 0.86 AURKA (0.47) SRCEGFRKDRKDM4E
SCHEMBL7519162 0.86 CYP1A2 (0.47) EGFRCYP1A2CYP2D6CYP2C19KDM4E

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