SCHEMBL470083

SCHEMBL470083

COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(N)=O)c(C)c4)n3n2)c(F)c1

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
SCHEMBL470082 0.94 TTK (0.67) TTK
SCHEMBL462307 0.92 TTK (0.70) TTK
SCHEMBL17590108 0.91 TTK (0.59) TTK
SCHEMBL15555863 0.91 TTK (0.69) TTK
SCHEMBL10279537 0.90 TTK (0.60) TTK
SCHEMBL457835 0.90 TTK (0.84) TTK
SCHEMBL470014 0.87 TTK (0.67) TTK
SCHEMBL470084 0.87 TTK (0.64) TTK
SCHEMBL462607 0.86 TTK (0.70) TTK
SCHEMBL17590100 0.86 TTK (0.58) 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