SCHEMBL9974816

SCHEMBL9974816

O=C(NC1CC1)c1ccc(-c2cnc3c(S)nc(Br)cn23)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.73
FYN P06241 1/20 0.53

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
SCHEMBL9935513 0.91 TTK (0.76) TTK
SCHEMBL9937922 0.87 TTK (0.76) TTK
SCHEMBL178375 0.85 TTK (0.59) TTK
SCHEMBL104317 0.85 TTK (1.00) TTK
SCHEMBL104503 0.84 TTK (0.75) TTK
SCHEMBL9936921 0.81 TTK (0.76) TTK
SCHEMBL104312 0.81 TTK (1.00) TTK
SCHEMBL15675950 0.81 TTK (0.75) TTK
SCHEMBL15169339 0.81 TTK (0.75) TTK
SCHEMBL9938682 0.80 TTK (0.76) 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-2012080228-A1 6-THIO-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