SCHEMBL10279104

SCHEMBL10279104

COc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(C(N)=O)cc4)n3n2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 19/20 0.67
▸ FYN P06241 1/20 0.47

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
SCHEMBL10279273 0.92 TTK (0.71) TTKFYN
SCHEMBL456740 0.91 TTK (0.81) TTK
SCHEMBL17425422 0.88 TTK (0.68) TTK
SCHEMBL458770 0.87 TTK (0.74) TTK
SCHEMBL17425437 0.87 TTK (0.76) TTKFYN
SCHEMBL457087 0.86 TTK (0.84) TTK
SCHEMBL15554760 0.86 TTK (0.72) TTK
SCHEMBL17425420 0.83 TTK (0.72) TTK
SCHEMBL10279541 0.83 TTK (0.67) TTKFYN
SCHEMBL470206 0.82 TTK (0.65) 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
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