SCHEMBL23970451

SCHEMBL23970451

CNC1=N/C(=C\c2ccc3ncsc3c2)C(=O)N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 20/20 0.72
▸ CLK4 Q9HAZ1 19/20 0.72
▸ DYRK1A Q13627 18/20 0.72
▸ DYRK2 Q92630 18/20 0.72
▸ DYRK1B Q9Y463 18/20 0.72
▸ CLK2 P49760 16/20 0.72
▸ DYRK3 O43781 16/20 0.72
▸ CLK3 P49761 14/20 0.72
▸ DYRK4 Q9NR20 13/20 0.72
▸ GSK3B P49841 11/20 0.72
▸ CSNK1E P49674 2/20 0.62
▸ CSNK2A2 P19784 2/20 0.54
▸ CSNK2B P67870 2/20 0.54
▸ CSNK2A1 P68400 2/20 0.54
▸ PIK3CD O00329 1/20 0.53
▸ PRKCB P05771 1/20 0.53
▸ PIK3CA P42336 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ HASPIN Q8TF76 1/20 0.53
▸ CDK5 Q00535 1/20 0.47

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
SCHEMBL23970473 0.88 CLK1 (0.72) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL25590037 0.87 CLK1 (0.69) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL23510515 0.86 DYRK2 (0.84) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL29899824 0.86 DYRK2 (0.84) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL25590036 0.85 CLK1 (0.66) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL23510450 0.84 DYRK1A (1.00) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL29015886 0.84 DYRK1A (1.00) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL29899879 0.84 DYRK1A (1.00) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL23970295 0.84 CLK1 (0.77) CLK1CLK4DYRK1ADYRK2DYRK1B
SCHEMBL23970190 0.84 CLK1 (0.67) CLK1CLK4DYRK1ADYRK2DYRK1B

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
EP-3904354-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2021-11-03 — — EP disclosed
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