SCHEMBL458430

SCHEMBL458430

Cc1cc(-c2cnc3c(NCC(C)(C)N)cc(-c4ccc(F)cc4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.61

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
SCHEMBL457113 0.94 TTK (0.59) TTK
SCHEMBL469886 0.90 TTK (0.73) TTK
SCHEMBL470061 0.87 TTK (0.57) TTK
SCHEMBL459378 0.87 TTK (0.57) TTK
SCHEMBL15556223 0.87 TTK (0.56) TTK
SCHEMBL457645 0.86 TTK (0.64) TTK
SCHEMBL457071 0.86 TTK (0.59) TTK
SCHEMBL470213 0.86 TTK (0.58) TTK
SCHEMBL10279498 0.86 TTK (0.58) TTK
SCHEMBL15555228 0.86 TTK (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
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