SCHEMBL469949

SCHEMBL469949

Cc1cc(-c2cnc3c(NCC4CCSCC4)cc(Oc4ccc(Cl)c(F)c4)nn23)ccc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.61
ERN1 O75460 3/20 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
SCHEMBL15555889 0.92 TTK (0.73) TTK
SCHEMBL470148 0.91 TTK (0.55) TTKERN1
SCHEMBL470039 0.91 TTK (0.61) TTK
SCHEMBL470033 0.89 TTK (0.56) TTK
SCHEMBL469947 0.88 TTK (0.55) TTK
SCHEMBL470027 0.87 TTK (0.62) TTK
SCHEMBL470206 0.86 TTK (0.65) TTK
SCHEMBL470029 0.86 TTK (0.60) TTK
SCHEMBL470040 0.86 TTK (0.69) TTK
SCHEMBL17425437 0.84 TTK (0.76) 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