SCHEMBL9941295

SCHEMBL9941295

NC(=O)c1ccc(-c2cnc3c(NCCCN4CCCC4=O)nccn23)cc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.46
MAPKAPK5 Q8IW41 1/20 0.42
BTK Q06187 1/20 0.39
CASK O14936 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
SCHEMBL9941053 0.85 MAPKAPK5 (0.50) TTKMAPKAPK5
SCHEMBL9941237 0.84 TTK (0.49) TTKMAPKAPK5
SCHEMBL9940932 0.84 TTK (0.39) TTKBTK
SCHEMBL9938292 0.84 TTK (0.55) TTKMAPKAPK5
SCHEMBL9940930 0.84 TTK (0.56) TTKCASK
SCHEMBL9941048 0.84 TTK (0.40) TTKBTK
SCHEMBL15375679 0.83 TTK (0.55) TTK
SCHEMBL9941045 0.83 TTK (0.68) TTK
SCHEMBL9940873 0.83 TTK (0.51) TTKMAPKAPK5
SCHEMBL9940982 0.81 MAPKAPK5 (0.51) TTKMAPKAPK5

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-2651948-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP claimed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO claimed