SCHEMBL457174

SCHEMBL457174

CC1(C)OC[C@H]([C@@H](O)CNc2cc(Cl)nn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)O1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.56
ERN1 O75460 1/20 0.46

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
SCHEMBL458304 0.87 TTK (0.57) TTK
SCHEMBL104538 0.83 TTK (0.77) TTK
SCHEMBL469964 0.79 TTK (0.74) TTKERN1
SCHEMBL457308 0.78 ERN1 (0.33) ERN1
SCHEMBL105105 0.76 TTK (0.77) TTK
SCHEMBL455842 0.76 TTK (0.55) TTKERN1
SCHEMBL470122 0.74 TTK (0.93) TTK
SCHEMBL462985 0.74 TTK (0.64) TTK
SCHEMBL10282278 0.74 TTK (0.77) TTK
SCHEMBL469984 0.73 TTK (0.73) 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-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