SCHEMBL456309

SCHEMBL456309

Cc1ccc(F)cc1Oc1cc(NCC2CN(C(=O)O)C2)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.67

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
SCHEMBL470079 0.92 TTK (0.63) TTK
SCHEMBL470081 0.91 TTK (0.68) TTK
SCHEMBL12468434 0.90 TTK (0.66) TTK
SCHEMBL458290 0.89 TTK (0.66) TTK
SCHEMBL456106 0.87 TTK (0.67) TTK
SCHEMBL17416346 0.87 TTK (0.64) TTK
SCHEMBL458506 0.86 TTK (0.81) TTK
SCHEMBL457289 0.86 TTK (0.66) TTK
SCHEMBL457761 0.84 TTK (0.70) TTK
SCHEMBL456846 0.84 TTK (0.62) 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