SCHEMBL9940915

SCHEMBL9940915

O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCO4)nccn23)cc1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.75

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
SCHEMBL9940705 0.89 TTK (0.72) TTK
SCHEMBL15375718 0.88 TTK (0.71) TTK
SCHEMBL9941299 0.87 TTK (0.61) TTK
SCHEMBL9937742 0.87 TTK (0.59) TTK
SCHEMBL15375677 0.87 TTK (0.60) TTK
SCHEMBL15375701 0.86 TTK (1.00) TTK
SCHEMBL104472 0.85 TTK (1.00) TTK
SCHEMBL15675935 0.85 TTK (0.67) TTK
SCHEMBL9936536 0.84 TTK (0.77) TTK
SCHEMBL9940275 0.83 TTK (0.67) 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-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