SCHEMBL9975169

SCHEMBL9975169

C=C(NC1CC1)c1ccc(-c2cnc3c(NCC(C)C)nc(-c4cccc(CC(=O)O)c4)cn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.71

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
SCHEMBL9937587 0.93 TTK (0.82) TTK
SCHEMBL9938641 0.86 TTK (0.81) TTK
SCHEMBL15843853 0.85 TTK (0.85) TTK
SCHEMBL9936508 0.84 TTK (0.88) TTK
SCHEMBL15843830 0.84 TTK (0.87) TTK
SCHEMBL15843872 0.83 TTK (0.89) TTK
SCHEMBL9936559 0.83 TTK (1.00) TTK
SCHEMBL9936310 0.82 TTK (1.00) TTK
SCHEMBL15843961 0.82 TTK (0.80) TTK
SCHEMBL9942750 0.82 TTK (0.83) 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-2012080236-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