SCHEMBL9940431

SCHEMBL9940431

CC(C)CNc1nc(-c2ccc(C(C)C)cc2)cn2c(-c3ccc(C(N)=O)c(C4CC4)c3)cnc12

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.55

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
SCHEMBL9942161 0.94 TTK (0.54) TTK
SCHEMBL9942235 0.93 TTK (0.56) TTK
SCHEMBL9942245 0.93 TTK (0.56) TTK
SCHEMBL9942731 0.93 TTK (0.56) TTK
SCHEMBL9942232 0.92 TTK (0.55) TTK
SCHEMBL9940276 0.92 TTK (0.55) TTK
SCHEMBL9942282 0.91 TTK (0.53) TTK
SCHEMBL9942192 0.91 TTK (0.56) TTK
SCHEMBL9940258 0.91 TTK (0.54) TTK
SCHEMBL9942729 0.91 TTK (0.53) 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-2651950-A1 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP claimed
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 claimed