SCHEMBL458889

SCHEMBL458889

COc1ccc(Oc2cc(NCCS(C)(=O)=O)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.78

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
SCHEMBL458108 0.95 TTK (0.70) TTK
SCHEMBL458845 0.90 TTK (0.84) TTK
SCHEMBL17416358 0.89 TTK (0.79) TTK
SCHEMBL17416416 0.89 TTK (0.61) TTK
SCHEMBL15554470 0.88 TTK (1.00) TTK
SCHEMBL19336817 0.87 TTK (0.73) TTK
SCHEMBL17571072 0.87 TTK (0.75) TTK
SCHEMBL470093 0.87 TTK (0.68) TTK
SCHEMBL457289 0.86 TTK (0.66) TTK
SCHEMBL16001683 0.86 TTK (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP claimed
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 WO claimed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP claimed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO claimed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed