SCHEMBL457597

SCHEMBL457597

Cc1cc(-c2cnc3c(NC[C@@H]4CCCO4)cc(Cl)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.64

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
SCHEMBL457118 1.00 TTK (0.64) TTK
SCHEMBL462019 1.00 TTK (0.64) TTK
SCHEMBL458746 0.98 TTK (0.65) TTK
SCHEMBL10279087 0.98 TTK (0.65) TTK
SCHEMBL463409 0.91 TTK (0.62) TTK
SCHEMBL457790 0.89 TTK (0.61) TTK
SCHEMBL17416379 0.89 TTK (0.61) TTK
SCHEMBL17590077 0.89 TTK (0.61) TTK
SCHEMBL10279085 0.88 TTK (0.61) TTK
SCHEMBL470012 0.88 TTK (0.61) 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
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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed