SCHEMBL463247

SCHEMBL463247

COc1cccc(Nc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(N)=O)c(C)c4C4CC4)n3n2)c1C

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.47

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
SCHEMBL462124 0.89 TTK (0.49) TTK
SCHEMBL470174 0.85 TTK (0.56) TTK
SCHEMBL457970 0.83 TTK (0.44) TTK
SCHEMBL463164 0.83 TTK (0.50) TTK
SCHEMBL15271384 0.82 TTK (0.69) TTK
SCHEMBL457709 0.80 TTK (0.71) TTK
SCHEMBL463285 0.80 PDE4D (0.43) TTK
SCHEMBL15554967 0.80 TTK (0.50) TTK
SCHEMBL457467 0.79 TTK (0.40) TTK
SCHEMBL470292 0.79 TTK (0.57) 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