SCHEMBL457466

SCHEMBL457466

Cc1cc(C2(c3cnc4c(NCCCC(F)(F)F)cc(Br)nn34)CC2)ccc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.41
NNMT P40261 1/20 0.34

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
SCHEMBL12467105 0.86 MAPK8 (0.36) TTK
SCHEMBL457969 0.86 TTK (0.45) TTK
SCHEMBL469970 0.82 TTK (0.50) TTK
SCHEMBL12466787 0.81 ERN1 (0.39) TTK
SCHEMBL469957 0.77 TTK (0.55) TTK
SCHEMBL456964 0.77 TTK (0.36) TTK
SCHEMBL457467 0.74 TTK (0.40) TTK
SCHEMBL458439 0.72 TTK (0.65) TTK
SCHEMBL455984 0.68
SCHEMBL470306 0.68 TTK (0.46) 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