SCHEMBL457166

SCHEMBL457166

Brc1cc(NCC2CCOCC2)c2ncc(I)n2n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.42
ERN1 O75460 2/20 0.38
KCNH3 Q9ULD8 1/20 0.37
FYN P06241 2/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL17425400 0.86 ERN1 (0.40) TTKERN1
SCHEMBL470171 0.76 TTK (0.60) TTKFYN
SCHEMBL456437 0.74 TTK (0.77) TTK
SCHEMBL458023 0.74 IKBKB (0.32)
SCHEMBL469974 0.73 TTK (0.64) TTKFYN
SCHEMBL17416373 0.72 TTK (0.66) TTK
SCHEMBL15749040 0.71 CHEK1 (0.40) KCNH3CHEK1
SCHEMBL17425421 0.71 TTK (0.78) TTK
SCHEMBL17416374 0.71 TTK (0.65) TTK
SCHEMBL456244 0.71 TTK (0.33) 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 6 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
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed