SCHEMBL28953208

SCHEMBL28953208

O=C1NC(N(Cc2ccccc2)c2ccc3ncsc3c2)=NC1=Cc1ccc2ncsc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 20/20 0.58
▸ CLK4 Q9HAZ1 19/20 0.58
▸ CLK2 P49760 18/20 0.58
▸ DYRK1A Q13627 18/20 0.58
▸ DYRK2 Q92630 18/20 0.58
▸ DYRK1B Q9Y463 18/20 0.58
▸ DYRK3 O43781 17/20 0.58
▸ CLK3 P49761 15/20 0.58
▸ DYRK4 Q9NR20 14/20 0.58
▸ GSK3B P49841 11/20 0.58
▸ CDK5 Q00535 1/20 0.54
▸ CDK5R1 Q15078 1/20 0.54
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45

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
SCHEMBL29899856 1.00 CLK1 (0.58) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL28953207 1.00 CLK1 (0.58) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL28842957 0.95 CLK1 (0.59) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL23510756 0.95 CLK1 (0.59) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL29899977 0.95 CLK1 (0.59) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL28842989 0.86 CLK1 (0.60) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL23510736 0.86 CLK1 (0.60) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL29899822 0.86 CLK1 (0.60) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL23510768 0.84 CLK1 (0.50) CLK1CLK4CLK2DYRK1ADYRK2
SCHEMBL28843139 0.84 CLK1 (0.50) CLK1CLK4CLK2DYRK1ADYRK2

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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