SCHEMBL458290

SCHEMBL458290

Cc1cc(-c2cnc3c(NCC4CN(C(=O)O)C4)cc(Oc4cncc(F)c4)nn23)ccc1C(=O)NC1CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.66

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
SCHEMBL12468434 0.92 TTK (0.66) TTK
SCHEMBL458627 0.92 TTK (0.64) TTK
SCHEMBL10279718 0.91 TTK (0.67) TTK
SCHEMBL456309 0.89 TTK (0.67) TTK
SCHEMBL457839 0.86 TTK (0.76) TTK
SCHEMBL459009 0.84 TTK (0.64) TTK
SCHEMBL456846 0.83 TTK (0.62) TTK
SCHEMBL457681 0.83 TTK (0.70) TTK
SCHEMBL455615 0.83 TTK (0.68) TTK
SCHEMBL459325 0.83 TTK (0.68) 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-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