SCHEMBL455843

SCHEMBL455843

NC(=O)c1ccc(-c2cnc3c(NCCS(N)(=O)=O)cc(Cl)nn23)cc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.46
TTK P33981 8/20 0.37

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
SCHEMBL455842 0.80 TTK (0.55) ERN1TTK
SCHEMBL462250 0.73 TTK (0.47) ERN1TTK
SCHEMBL469904 0.72 TTK (0.55) TTK
SCHEMBL462543 0.71 TTK (0.53) TTK
SCHEMBL15560602 0.70 TTK (0.54) TTK
SCHEMBL462421 0.70 TTK (0.50) ERN1TTK
SCHEMBL455841 0.70 ERN1 (0.31) ERN1
SCHEMBL456965 0.70 ERN1 (0.40) ERN1TTK
SCHEMBL457970 0.70 TTK (0.44) ERN1TTK
SCHEMBL457376 0.70 TTK (0.58) ERN1TTK

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