SCHEMBL30416554

SCHEMBL30416554

COc1ccc2sc(-c3cnccc3NC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 1.00
ALDH1A1 P00352 1/20 0.51
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL20068762 1.00 DYRK1A (1.00) DYRK1AALDH1A1CCNA2CDK2
SCHEMBL20068763 0.89 DYRK1A (1.00) DYRK1A
SCHEMBL20068759 0.88 DYRK1A (1.00) DYRK1A
SCHEMBL23015694 0.82 DYRK1A (1.00) DYRK1A
SCHEMBL20068756 0.82 DYRK1A (0.77) DYRK1A
SCHEMBL20068738 0.82 DYRK1A (0.75) DYRK1A
SCHEMBL30833188 0.80 DYRK1A (0.76) DYRK1A
SCHEMBL23015688 0.80 DYRK1A (0.76) DYRK1A
SCHEMBL20069398 0.80 DYRK1A (1.00) DYRK1A
SCHEMBL20068755 0.80 DYRK1A (1.00) DYRK1A

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