SCHEMBL30416819

SCHEMBL30416819

COc1ccc2sc(-c3cncc(NC(=O)C(C)C)c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 1.00
CLK1 P49759 1/20 0.79
CLK2 P49760 1/20 0.79
DYRK2 Q92630 1/20 0.79
CLK4 Q9HAZ1 1/20 0.79
DYRK1B Q9Y463 1/20 0.79
ATAD2 Q6PL18 1/20 0.51

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
SCHEMBL20068764 1.00 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20068809 0.88 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL30416556 0.88 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL30417027 0.87 DYRK1A (0.82) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20069386 0.87 DYRK1A (0.82) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20069412 0.85 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL30416545 0.85 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20068843 0.84 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
Hydrochloric Acid SCHEMBL29159572 0.84 DYRK1A (0.98) DYRK1ACLK1CLK2DYRK2CLK4
Hydrochloric Acid SCHEMBL30416992 0.84 DYRK1A (0.98) DYRK1ACLK1CLK2DYRK2CLK4

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-109843879-B Benzothiazole derivatives as DYRK1 inhibitors 药物治疗股份有限公司 2023-05-02 CN disclosed