SCHEMBL9940982

SCHEMBL9940982

NC(=O)c1ccc(-c2cnc3c(NCCN4CCOCC4)nccn23)cc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.51
TTK P33981 11/20 0.51
FLT3 P36888 4/20 0.49
ADORA3 P0DMS8 1/20 0.47

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 0.95 MAPKAPK5 (0.50) MAPKAPK5TTKFLT3ADORA3
SCHEMBL9941237 0.92 TTK (0.49) MAPKAPK5TTKADORA3
SCHEMBL9941201 0.84 TTK (0.54) MAPKAPK5TTK
SCHEMBL9938292 0.83 TTK (0.55) MAPKAPK5TTK
SCHEMBL9941127 0.83 TTK (0.53) MAPKAPK5TTK
SCHEMBL9940914 0.82 TTK (0.51) MAPKAPK5TTK
SCHEMBL9940873 0.82 TTK (0.51) MAPKAPK5TTK
SCHEMBL9941138 0.82 TTK (0.57) MAPKAPK5TTKFLT3ADORA3
SCHEMBL9940987 0.81 TTK (0.49) MAPKAPK5TTK
SCHEMBL9941295 0.81 TTK (0.46) MAPKAPK5TTK

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