SCHEMBL455867

SCHEMBL455867

COc1cccc(Nc2cc(NCC(C)(C)O)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.57

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
SCHEMBL458143 0.88 TTK (0.58) TTK
SCHEMBL470018 0.88 TTK (0.58) TTK
SCHEMBL458411 0.88 TTK (0.60) TTK
SCHEMBL457784 0.88 TTK (0.61) TTK
SCHEMBL456319 0.88 TTK (0.57) TTK
SCHEMBL455846 0.86 TTK (0.63) TTK
SCHEMBL10279521 0.86 TTK (0.61) TTK
SCHEMBL457616 0.86 TTK (0.62) TTK
SCHEMBL470154 0.86 TTK (0.60) TTK
SCHEMBL470057 0.86 TTK (0.60) 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