SCHEMBL470174

SCHEMBL470174

COc1cccc(Nc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(N)=O)c(C)c4)n3n2)c1C

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.56
ERN1 O75460 1/20 0.41

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
SCHEMBL470292 0.94 TTK (0.57) TTKERN1
SCHEMBL457709 0.89 TTK (0.71) TTK
SCHEMBL10279268 0.87 TTK (0.59) TTK
SCHEMBL10279715 0.87 TTK (0.55) TTK
SCHEMBL10279103 0.87 TTK (0.54) TTK
SCHEMBL10279106 0.86 TTK (0.54) TTKERN1
SCHEMBL10279101 0.86 TTK (0.53) TTK
SCHEMBL470300 0.86 TTK (0.53) TTK
SCHEMBL463247 0.85 TTK (0.47) TTK
SCHEMBL470291 0.84 TTK (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed