SCHEMBL458699

SCHEMBL458699

OCc1ccccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=S)NC4CC4)cc3)n2n1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.50

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
SCHEMBL457551 0.86 TTK (0.52) TTK
SCHEMBL457649 0.86 TTK (0.66) TTK
SCHEMBL469961 0.83 TTK (0.40) TTK
SCHEMBL456573 0.82 TTK (0.40) TTK
SCHEMBL455850 0.82 TTK (0.49) TTK
SCHEMBL457145 0.82 TTK (0.53) TTK
SCHEMBL469958 0.79 TTK (0.58) TTK
SCHEMBL458887 0.78 TTK (0.68) TTK
SCHEMBL470020 0.77 TTK (0.62) TTK
SCHEMBL454908 0.77 TTK (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed