SCHEMBL470152

SCHEMBL470152

Cc1cc(F)cc(Sc2cc(NCC3CCSCC3)c3ncc(-c4ccc(C(N)=O)c(C)c4)n3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.46
IKBKB O14920 1/20 0.39

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
SCHEMBL456227 0.92 TTK (0.57) TTK
SCHEMBL470139 0.91 TTK (0.47) TTKIKBKB
SCHEMBL470143 0.89 TTK (0.48) TTKIKBKB
SCHEMBL10279099 0.87 TTK (0.47) TTKIKBKB
SCHEMBL469947 0.84 TTK (0.55) TTKIKBKB
SCHEMBL10279710 0.84 TTK (0.47) TTKIKBKB
SCHEMBL459287 0.83 TTK (0.58) TTK
SCHEMBL470045 0.83 TTK (0.46) TTKIKBKB
SCHEMBL469943 0.82 TTK (0.52) TTKIKBKB
SCHEMBL10279510 0.81 TTK (0.53) 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