SCHEMBL456437

SCHEMBL456437

O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(Br)nn23)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.77

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
SCHEMBL135281 0.90 TTK (0.88) TTK
SCHEMBL178456 0.90 TTK (0.77) TTK
SCHEMBL178466 0.90 TTK (0.77) TTK
SCHEMBL105105 0.90 TTK (0.77) TTK
SCHEMBL17425421 0.89 TTK (0.78) TTK
SCHEMBL470171 0.89 TTK (0.60) TTK
SCHEMBL104544 0.87 TTK (0.81) TTK
SCHEMBL105196 0.86 TTK (1.00) TTK
SCHEMBL105020 0.85 TTK (1.00) TTK
SCHEMBL104765 0.85 TTK (1.00) 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
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