SCHEMBL457376

SCHEMBL457376

Cc1cc(-c2cnc3c(NCCS(=O)(=O)N4CCOCC4)cc(Cl)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.58
ERN1 O75460 1/20 0.48

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
SCHEMBL470136 0.90 TTK (0.57) TTK
SCHEMBL458319 0.83 TTK (0.57) TTKERN1
SCHEMBL17590077 0.82 TTK (0.61) TTKERN1
SCHEMBL17416379 0.82 TTK (0.61) TTKERN1
SCHEMBL457790 0.82 TTK (0.61) TTKERN1
SCHEMBL456455 0.82 TTK (0.71) TTK
SCHEMBL463409 0.81 TTK (0.62) TTK
SCHEMBL462985 0.81 TTK (0.64) TTK
SCHEMBL459378 0.81 TTK (0.57) TTKERN1
SCHEMBL454931 0.81 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
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