SCHEMBL470050

SCHEMBL470050

Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Nc4cccnc4)nn23)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.51
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 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
SCHEMBL10279101 0.92 TTK (0.53) TTK
SCHEMBL470300 0.90 TTK (0.53) TTK
SCHEMBL455037 0.89 TTK (0.65) TTK
SCHEMBL470291 0.89 TTK (0.52) TTK
SCHEMBL469960 0.88 TTK (0.54) TTK
SCHEMBL10279715 0.87 TTK (0.55) TTK
SCHEMBL10279103 0.87 TTK (0.54) TTK
SCHEMBL10279100 0.86 TTK (0.51) TTK
SCHEMBL10279268 0.85 TTK (0.59) TTK
SCHEMBL470292 0.85 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 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