SCHEMBL469907

SCHEMBL469907

COc1ccccc1Sc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(N)=O)c(C)c3)n2n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.55

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
SCHEMBL469937 0.90 TTK (0.53) TTK
SCHEMBL458100 0.90 TTK (0.70) TTK
SCHEMBL470026 0.89 TTK (0.49) TTK
SCHEMBL470290 0.88 TTK (0.54) TTK
SCHEMBL470249 0.88 TTK (0.57) TTK
SCHEMBL470011 0.87 TTK (0.53) TTK
SCHEMBL470292 0.86 TTK (0.57) TTK
SCHEMBL470042 0.84 TTK (0.52) TTK
SCHEMBL10279510 0.84 TTK (0.53) TTK
SCHEMBL470174 0.83 TTK (0.56) 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