SCHEMBL28842886

SCHEMBL28842886

CCSC1=NC(=Cc2ccc3ncsc3c2)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 17/20 0.60
▸ DYRK1A Q13627 16/20 0.60
▸ DYRK2 Q92630 16/20 0.60
▸ DYRK1B Q9Y463 16/20 0.60
▸ CLK4 Q9HAZ1 16/20 0.60
▸ DYRK3 O43781 14/20 0.60
▸ CLK2 P49760 14/20 0.60
▸ CLK3 P49761 11/20 0.60
▸ DYRK4 Q9NR20 10/20 0.60
▸ GSK3B P49841 6/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ CSNK2A2 P19784 3/20 0.57
▸ CSNK2B P67870 3/20 0.57
▸ CSNK2A1 P68400 3/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ CSNK2A3 Q8NEV1 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ PIK3CD O00329 1/20 0.50
▸ PRKCB P05771 1/20 0.50

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
SCHEMBL23510493 1.00 CLK1 (0.60) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL30145002 1.00 CLK1 (0.60) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL23510596 0.91 KDM4E (0.59) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL30144962 0.87 CLK1 (0.60) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL23970084 0.87 CLK1 (0.60) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL23510449 0.84 CLK1 (0.54) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL28842992 0.84 CLK1 (0.54) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL23510637 0.83 CLK1 (0.64) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL23970056 0.83 CLK1 (0.58) CLK1DYRK1ADYRK2DYRK1BCLK4
SCHEMBL24904263 0.81 KDM4E (0.64) CLK1DYRK1ADYRK2DYRK1BCLK4

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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