SCHEMBL31522673

SCHEMBL31522673

Nc1ccc2ccc(-c3cncs3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.46
CD38 P28907 7/20 0.43
NCF1 P14598 4/20 0.41
NOS2 P35228 1/20 0.41
DYRK1A Q13627 1/20 0.41
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
PLAU P00749 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL20950907 0.82 TEK (0.43) CD38DYRK1ACHEK1CHEK2
SCHEMBL26260195 0.79 DYRK1A (0.49) CD38DYRK1APRMT5WDR77
SCHEMBL26260216 0.77 DYRK1A (0.47) CD38DYRK1APRMT5WDR77
SCHEMBL4020749 0.74 PIK3CD (0.50) CD38NOS2DYRK1ACHEK1CHEK2
SCHEMBL7457053 0.73 CYP11B1 (0.50) CD38DYRK1A
SCHEMBL16159853 0.72 DYRK1A (0.46) CD38DYRK1ACHEK1CHEK2
SCHEMBL29441698 0.71 MAP4K4 (0.53) CD38DYRK1ACHEK1CHEK2
SCHEMBL14320363 0.71 MAP4K4 (0.53) CD38DYRK1ACHEK1CHEK2
SCHEMBL16159089 0.71 DYRK1A (0.50) CD38DYRK1A
SCHEMBL14320606 0.71 APP (0.50) CD38DYRK1ACHEK1CHEK2PRMT5

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-119661432-A PRMT5 inhibitor, and pharmaceutical composition, pharmaceutical preparation and application thereof 北京福元医药股份有限公司 2025-03-21 CN disclosed