SCHEMBL459115

SCHEMBL459115

COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccnn3C)nn12

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 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
SCHEMBL15555049 0.90 TTK (0.55) TTK
SCHEMBL469966 0.87 TTK (0.60) TTK
SCHEMBL456417 0.86 TTK (0.57) TTK
SCHEMBL457145 0.85 TTK (0.53) TTK
SCHEMBL459032 0.82 TTK (0.66) TTK
SCHEMBL455850 0.82 TTK (0.49) TTK
SCHEMBL458658 0.78 TTK (0.58) TTK
SCHEMBL456225 0.75 TTK (0.58) TTK
SCHEMBL10279092 0.75 TTK (0.77) TTK
SCHEMBL470160 0.74 TTK (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

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