SCHEMBL457295

SCHEMBL457295

Cc1ccc(Cl)cc1Nc1cc(NCC(C)(C)O)c2nc(-c3ccc(C(=O)NC4CC4)c(C)c3)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.48
CYP3A4 P08684 2/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK11 Q15759 1/20 0.37

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
SCHEMBL459520 0.84 TTK (0.61) TTK
SCHEMBL459013 0.79 TTK (0.48) TTK
SCHEMBL457294 0.79 TTK (0.47) TTK
SCHEMBL456495 0.77 TTK (0.53) TTK
SCHEMBL458617 0.77 TTK (0.58) TTK
SCHEMBL457798 0.76 TTK (0.61) TTK
SCHEMBL456487 0.76 TTK (0.52) TTK
SCHEMBL15555404 0.75 TTK (0.46) TTK
SCHEMBL458563 0.75 TTK (0.61) TTK
SCHEMBL10279184 0.74 TTK (0.58) TTK

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
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed