SCHEMBL457970

SCHEMBL457970

Cc1c(C(N)=O)ccc(-c2cnc3c(NCCC(F)(F)F)cc(Cl)nn23)c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.44
ERN1 O75460 2/20 0.37

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
SCHEMBL456371 0.88 TTK (0.46) TTKERN1
SCHEMBL456965 0.88 ERN1 (0.40) TTKERN1
SCHEMBL457467 0.86 TTK (0.40) TTK
SCHEMBL463247 0.83 TTK (0.47) TTK
SCHEMBL15554967 0.83 TTK (0.50) TTK
SCHEMBL462124 0.83 TTK (0.49) TTK
SCHEMBL12989349 0.82 TTK (0.46) TTK
SCHEMBL15271384 0.82 TTK (0.69) TTK
SCHEMBL469904 0.81 TTK (0.55) TTK
SCHEMBL463164 0.80 TTK (0.50) 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