SCHEMBL30416852

SCHEMBL30416852

COc1ccc2sc(-c3cnc(C)cc3NC(C)=O)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 1.00
CLK1 P49759 1/20 0.59
CLK2 P49760 1/20 0.59
DYRK2 Q92630 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
DYRK1B Q9Y463 1/20 0.59
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL20068783 1.00 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL23015693 0.84 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL30417087 0.84 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL9042945 0.83 DYRK1A (0.76) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20069409 0.76 DYRK1A (0.69) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL30416578 0.76 DYRK1A (0.69) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20068747 0.74 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL31061590 0.74 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL20068809 0.74 DYRK1A (1.00) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL17541695 0.74 DYRK1A (0.72) 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