SCHEMBL28945469

SCHEMBL28945469

Cc1nc2ccc(/C=C3\NC(S)NC3=O)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 10/20 0.54
▸ DYRK1A Q13627 10/20 0.54
▸ DYRK1B Q9Y463 10/20 0.54
▸ CLK4 Q9HAZ1 9/20 0.54
▸ DYRK2 Q92630 8/20 0.54
▸ DYRK3 O43781 7/20 0.54
▸ CLK2 P49760 7/20 0.54
▸ CLK3 P49761 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ LDHA P00338 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ DYRK4 Q9NR20 4/20 0.36
▸ GSK3B P49841 2/20 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
SCHEMBL24904299 0.79 CLK1 (0.62) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL30145000 0.77 CLK1 (0.62) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL23987183 0.77 CLK1 (0.62) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL25590187 0.73 CLK1 (0.52) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL30275506 0.72 CLK1 (0.51) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL4533808 0.71 SMN1; SMN2 (0.56) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL30145012 0.69 MAPT (0.56) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL23987070 0.69 MAPT (0.56) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL30224526 0.68 SMN1; SMN2 (0.56) CLK1DYRK1ADYRK1BCLK4DYRK2
SCHEMBL25257875 0.68 CLK1 (0.55) CLK1DYRK1ADYRK1BCLK4DYRK2

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
CN-115515953-A Novel imidazolidinone derivatives as inhibitors of protein kinases, in particular DYRK1A, CLK1 and/or CLK4 珀哈制药公司 2022-12-23 — — CN disclosed
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