SCHEMBL456540

SCHEMBL456540

CC(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.47
ERN1 O75460 13/20 0.45
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL470248 0.87 ERN1 (0.48) TTKERN1
SCHEMBL470005 0.86 TTK (0.56) TTKMKNK1
SCHEMBL459313 0.85 TTK (0.47) TTKERN1
SCHEMBL458070 0.83 ERN1 (0.44) TTKERN1
SCHEMBL470209 0.82 TTK (0.56) TTKERN1MKNK1
SCHEMBL10279180 0.78 TTK (0.56) TTKERN1MKNK1
SCHEMBL104538 0.77 TTK (0.77) TTK
SCHEMBL458814 0.77 TTK (0.52) TTKERN1
SCHEMBL10279181 0.77 TTK (0.59) TTKERN1MKNK1
SCHEMBL10279183 0.77 TTK (0.58) TTKMKNK1

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