SCHEMBL470300

SCHEMBL470300

Cc1cccc(Nc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(N)=O)c(C)c4)n3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 15/20 0.53
TYK2 P29597 5/20 0.44
PDE4D Q08499 3/20 0.43

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
SCHEMBL10279101 0.93 TTK (0.53) TTKTYK2PDE4D
SCHEMBL470291 0.92 TTK (0.52) TTKTYK2PDE4D
SCHEMBL470050 0.90 TTK (0.51) TTK
SCHEMBL469960 0.89 TTK (0.54) TTKTYK2PDE4D
SCHEMBL456845 0.89 TTK (0.68) TTK
SCHEMBL10279100 0.88 TTK (0.51) TTKTYK2PDE4D
SCHEMBL10279268 0.88 TTK (0.59) TTK
SCHEMBL10279715 0.88 TTK (0.55) TTK
SCHEMBL10279103 0.86 TTK (0.54) TTK
SCHEMBL470174 0.86 TTK (0.56) 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