SCHEMBL9942308

SCHEMBL9942308

O=C(NC1CC1)c1ccc(-c2cnc3c(NCCO)nccn23)cc1.O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 20/20 0.91

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
SCHEMBL9966484 0.95 TTK (1.00) TTK
SCHEMBL15375695 0.92 TTK (1.00) TTK
SCHEMBL9966492 0.89 TTK (0.84) TTK
SCHEMBL9942307 0.89 TTK (0.72) TTK
SCHEMBL15375687 0.88 TTK (0.81) TTK
SCHEMBL9966468 0.86 TTK (0.83) TTK
SCHEMBL15375689 0.86 TTK (0.83) TTK
SCHEMBL9936901 0.86 TTK (0.89) TTK
SCHEMBL15375683 0.85 TTK (0.80) TTK
SCHEMBL9937724 0.83 TTK (0.77) 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
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