SCHEMBL9975149

SCHEMBL9975149

CNc1ccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)c(Cl)c4)cnc3c(NCC(C)(C)O)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.73

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
SCHEMBL15843630 0.92 TTK (0.74) TTK
SCHEMBL15675933 0.92 TTK (0.74) TTK
SCHEMBL15843794 0.90 TTK (0.72) TTK
SCHEMBL15675796 0.88 TTK (0.71) TTK
SCHEMBL9970926 0.87 TTK (0.78) TTK
SCHEMBL15844082 0.86 TTK (0.70) TTK
SCHEMBL9936274 0.85 TTK (0.69) TTK
SCHEMBL9935910 0.85 TTK (0.68) TTK
SCHEMBL9935770 0.84 TTK (1.00) TTK
SCHEMBL9935776 0.84 TTK (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012080230-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed