SCHEMBL28843078

SCHEMBL28843078

CN(C1=NC(=Cc2ccc3ncsc3c2)C(=O)N1)c1ccc2ncsc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 19/20 0.56
▸ DYRK1A Q13627 18/20 0.56
▸ DYRK1B Q9Y463 18/20 0.56
▸ DYRK2 Q92630 17/20 0.56
▸ CLK4 Q9HAZ1 17/20 0.56
▸ CLK2 P49760 15/20 0.56
▸ DYRK3 O43781 15/20 0.56
▸ CLK3 P49761 12/20 0.56
▸ DYRK4 Q9NR20 11/20 0.56
▸ GSK3B P49841 9/20 0.56
▸ CSNK2A2 P19784 3/20 0.50
▸ CSNK2B P67870 3/20 0.50
▸ CSNK2A1 P68400 3/20 0.50
▸ CSNK1E P49674 1/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ HASPIN Q8TF76 1/20 0.49
▸ PIM1 P11309 1/20 0.48

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
SCHEMBL29899874 1.00 CLK1 (0.56) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL23510749 1.00 CLK1 (0.56) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL28945479 0.93 CLK1 (0.55) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL28842939 0.92 CLK1 (0.52) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL23510700 0.92 CLK1 (0.52) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL28842943 0.92 CLK1 (0.52) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL23510747 0.92 CLK1 (0.52) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL29899934 0.92 CLK1 (0.52) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL29899859 0.92 CLK1 (0.52) CLK1DYRK1ADYRK1BDYRK2CLK4
SCHEMBL23510632 0.92 CLK1 (0.62) CLK1DYRK1ADYRK1BDYRK2CLK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929690-B Novel heterocyclic derivatives having cardiomyocyte proliferative activity for the treatment of heart disease 同济大学 2023-05-05 — — CN disclosed
CN-114929690-A Novel heterocyclic derivatives with cardiomyocyte proliferative activity for the treatment of cardiac diseases 同济大学 2022-08-19 — — CN disclosed
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