SCHEMBL17416403

SCHEMBL17416403

CNc1ccccc1Oc1cc(NCCN2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.63
CYP3A4 P08684 1/20 0.51

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
SCHEMBL470094 0.90 TTK (0.68) TTKCYP3A4
SCHEMBL17416394 0.90 TTK (0.66) TTKCYP3A4
SCHEMBL15555121 0.88 TTK (0.54) TTKCYP3A4
SCHEMBL17416414 0.88 TTK (0.63) TTK
SCHEMBL10279546 0.87 TTK (0.67) TTKCYP3A4
SCHEMBL457419 0.86 TTK (0.79) TTK
SCHEMBL17416389 0.86 TTK (0.68) TTKCYP3A4
SCHEMBL10279719 0.86 TTK (0.53) TTKCYP3A4
SCHEMBL470099 0.85 TTK (0.53) TTKCYP3A4
SCHEMBL10279112 0.84 TTK (0.61) TTKCYP3A4

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-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP claimed