SCHEMBL462250

SCHEMBL462250

CSc1cc(NCC(C)C)c2ncc(-c3ccc(C(N)=O)c(C4CC4)c3)n2n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.47
FYN P06241 5/20 0.42
ERN1 O75460 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
SCHEMBL462543 0.84 TTK (0.53) TTKFYN
SCHEMBL462421 0.83 TTK (0.50) TTKFYNERN1
SCHEMBL463538 0.81 TTK (0.62) TTK
SCHEMBL462251 0.79 TTK (0.74) TTK
SCHEMBL455843 0.73 ERN1 (0.46) TTKERN1
SCHEMBL9942373 0.73 TTK (0.50) TTK
SCHEMBL10279179 0.73 TTK (0.60) TTK
SCHEMBL9942235 0.72 TTK (0.56) TTK
SCHEMBL9942245 0.72 TTK (0.56) TTK
SCHEMBL17103797 0.72 TTK (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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