SCHEMBL457467

SCHEMBL457467

Cc1c(C(N)=O)ccc(-c2cnc3c(NCCCC(F)(F)F)cc(Br)nn23)c1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.40

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
SCHEMBL12467108 0.86 TTK (0.36) TTK
SCHEMBL457970 0.86 TTK (0.44) TTK
SCHEMBL12466791 0.82 ERN1 (0.43) TTK
SCHEMBL469970 0.81 TTK (0.50) TTK
SCHEMBL462124 0.81 TTK (0.49) TTK
SCHEMBL15554967 0.81 TTK (0.50) TTK
SCHEMBL463247 0.79 TTK (0.47) TTK
SCHEMBL15271384 0.78 TTK (0.69) TTK
SCHEMBL12989349 0.78 TTK (0.46) TTK
SCHEMBL456965 0.77 ERN1 (0.40) 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