SCHEMBL470027

SCHEMBL470027

Cc1cc(-c2cnc3c(NCC4CCSCC4)cc(Oc4ccccc4F)nn23)ccc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.62

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
SCHEMBL470029 0.94 TTK (0.60) TTK
SCHEMBL457163 0.92 TTK (0.71) TTK
SCHEMBL470037 0.91 TTK (0.61) TTK
SCHEMBL470039 0.90 TTK (0.61) TTK
SCHEMBL470033 0.88 TTK (0.56) TTK
SCHEMBL469949 0.87 TTK (0.61) TTK
SCHEMBL469947 0.86 TTK (0.55) TTK
SCHEMBL459316 0.86 TTK (0.72) TTK
SCHEMBL470040 0.85 TTK (0.69) TTK
SCHEMBL470148 0.85 TTK (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed