SCHEMBL470291

SCHEMBL470291

Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Nc4cccc(Cl)c4)nn23)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.52
TYK2 P29597 3/20 0.42
PDE4D Q08499 3/20 0.42
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL470300 0.92 TTK (0.53) TTKTYK2PDE4D
SCHEMBL10279101 0.92 TTK (0.53) TTKTYK2PDE4D
SCHEMBL10279100 0.90 TTK (0.51) TTKTYK2PDE4D
SCHEMBL456814 0.89 TTK (0.66) TTK
SCHEMBL470050 0.89 TTK (0.51) TTK
SCHEMBL470044 0.88 TTK (0.51) TTK
SCHEMBL469960 0.88 TTK (0.54) TTKTYK2PDE4D
SCHEMBL10279268 0.86 TTK (0.59) TTK
SCHEMBL10279715 0.86 TTK (0.55) TTK
SCHEMBL469969 0.86 TTK (0.46) 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