SCHEMBL457294

SCHEMBL457294

Cc1ccc(Cl)cc1Nc1nn2ccnc2c(NCC(C)(C)O)c1-c1ccc(C(=O)NC2CC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.47

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
SCHEMBL459012 0.79 TTK (0.46) TTK
SCHEMBL17416415 0.79 TTK (0.46) TTK
SCHEMBL459520 0.79 TTK (0.61) TTK
SCHEMBL457295 0.79 TTK (0.48) TTK
SCHEMBL456494 0.78 TTK (0.49) TTK
SCHEMBL15555406 0.75 TTK (0.46) TTK
SCHEMBL456486 0.75 TTK (0.59) TTK
SCHEMBL457798 0.73 TTK (0.61) TTK
SCHEMBL458617 0.72 TTK (0.58) TTK
SCHEMBL454931 0.71 TTK (0.61) 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