SCHEMBL470186

SCHEMBL470186

FC(F)(F)CCNc1cc(NC2CCCC2)nn2c(I)cnc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.45
TTK P33981 9/20 0.45
CCNE1 P24864 8/20 0.36
CDK2 P24941 8/20 0.36
FLT3 P36888 8/20 0.36

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
SCHEMBL458935 0.80 TTK (0.41) TTK
SCHEMBL458281 0.79 TYK2 (0.40) TYK2TTKCCNE1CDK2FLT3
SCHEMBL470189 0.78 CCNE1 (0.42) TYK2TTKCCNE1CDK2FLT3
SCHEMBL456366 0.77 ERN1 (0.34) TTK
SCHEMBL456244 0.77 TTK (0.33) TTK
SCHEMBL455869 0.75 TYK2 (0.41) TYK2TTKCCNE1CDK2FLT3
SCHEMBL470188 0.74 TTK (0.74) TTK
SCHEMBL17425401 0.72 TYK2 (0.37) TYK2TTK
SCHEMBL455984 0.71
SCHEMBL458280 0.70 TYK2 (0.43) TYK2TTKCCNE1CDK2FLT3

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