SCHEMBL456487

SCHEMBL456487

Cc1cc(-c2cn3nc(NC4CCCC4)cc(NCCC(F)(F)F)c3n2)ccc1C(=O)NC1CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.52

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
SCHEMBL470188 0.83 TTK (0.74) TTK
SCHEMBL12985831 0.79 TTK (0.53) TTK
SCHEMBL457295 0.76 TTK (0.48) TTK
SCHEMBL15555404 0.75 TTK (0.46) TTK
SCHEMBL456486 0.75 TTK (0.59) TTK
SCHEMBL12986204 0.74 TTK (0.52) TTK
SCHEMBL456015 0.73 TTK (0.71) TTK
SCHEMBL12986828 0.73 TTK (0.80) TTK
SCHEMBL19336836 0.73 TTK (0.73) TTK
SCHEMBL457292 0.72 TTK (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed