SCHEMBL456846

SCHEMBL456846

Cc1cc(-c2cnc3c(NCC4CN(C(=O)O)C4)cc(Br)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.62

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
SCHEMBL470328 0.90 TTK (0.57) TTK
SCHEMBL15556481 0.89 TTK (0.68) TTK
SCHEMBL17425424 0.89 TTK (0.65) TTK
SCHEMBL455891 0.89 TTK (0.65) TTK
SCHEMBL470185 0.88 TTK (0.65) TTK
SCHEMBL17425421 0.88 TTK (0.78) TTK
SCHEMBL17425403 0.88 TTK (0.64) TTK
SCHEMBL462580 0.87 TTK (0.63) TTK
SCHEMBL457131 0.86 TTK (0.59) TTK
SCHEMBL17425416 0.85 TTK (0.58) 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