SCHEMBL8795456

SCHEMBL8795456

CCNc1cc2ncnc(NCc3cccc(OCCCN(CC)CC)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
AURKA O14965 6/20 0.44
AURKB Q96GD4 4/20 0.44
EGFR P00533 6/20 0.43
RPS6KB1 P23443 4/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDGFRB P09619 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
SCHEMBL8795923 0.96 HTT (0.46) HTTAURKAAURKBEGFRRPS6KB1
SCHEMBL8796312 0.93 AURKA (0.49) HTTAURKAAURKBEGFRRPS6KB1
SCHEMBL8795310 0.91 AURKA (0.44) HTTAURKAAURKBEGFRMAPK1
SCHEMBL8796051 0.88 MEN1 (0.43) HTTAURKAAURKBEGFRPDGFRB
SCHEMBL8795332 0.88 HTT (0.48) HTTAURKAAURKBEGFRRPS6KB1
SCHEMBL8795881 0.86 MEN1 (0.44) HTTAURKAAURKBEGFRRPS6KB1
SCHEMBL8825746 0.86 HTT (0.62) HTTAURKAEGFRRPS6KB1MAPK1
SCHEMBL8796953 0.84 MAPK1 (0.46) HTTEGFRMAPK1SMN1; SMN2PDGFRB
SCHEMBL8796055 0.83 RPS6KB1 (0.47) HTTAURKAEGFRRPS6KB1MAPK1
SCHEMBL8795099 0.83 MEN1 (0.44) HTTAURKAEGFRRPS6KB1PDGFRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed