SCHEMBL469969

SCHEMBL469969

Cc1ccc(Cl)cc1Nc1cc(NCCCC(F)(F)F)c2ncc(-c3ccc(C(N)=O)c(C)c3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.46

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
SCHEMBL470054 0.92 TTK (0.51) TTK
SCHEMBL15560105 0.89 TTK (0.60) TTK
SCHEMBL470044 0.89 TTK (0.51) TTK
SCHEMBL470291 0.86 TTK (0.52) TTK
SCHEMBL10279106 0.85 TTK (0.54) TTK
SCHEMBL470052 0.84 TTK (0.65) TTK
SCHEMBL469970 0.84 TTK (0.50) TTK
SCHEMBL10279715 0.84 TTK (0.55) TTK
SCHEMBL10279101 0.83 TTK (0.53) TTK
SCHEMBL10279100 0.83 TTK (0.51) 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