SCHEMBL470082

SCHEMBL470082

COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(N)=O)c(C)c4)n3n2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.67

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
SCHEMBL470083 0.94 TTK (0.67) TTK
SCHEMBL10279537 0.93 TTK (0.60) TTK
SCHEMBL462607 0.92 TTK (0.70) TTK
SCHEMBL17590110 0.91 TTK (0.67) TTK
SCHEMBL470068 0.91 TTK (0.69) TTK
SCHEMBL458845 0.90 TTK (0.84) TTK
SCHEMBL456407 0.88 TTK (0.60) TTK
SCHEMBL10279499 0.87 TTK (0.61) TTK
SCHEMBL462307 0.86 TTK (0.70) TTK
SCHEMBL17590108 0.85 TTK (0.59) 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