SCHEMBL29640858

SCHEMBL29640858

Clc1cc2c(cn1)CN(c1nccc(-c3nccc(C#Cn4ncc5ccccc54)n3)n1)C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.33

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
SCHEMBL29640810 0.89 DYRK1A (0.36) DYRK1A
SCHEMBL29640827 0.87 PDE10A (0.33) DYRK1A
SCHEMBL29640778 0.86 ROCK2 (0.38) DYRK1A
SCHEMBL29640878 0.86 DYRK1A (0.32) DYRK1A
SCHEMBL29640849 0.83
SCHEMBL29640938 0.83 ROCK2 (0.42)
SCHEMBL29640949 0.82 MAP4K1 (0.37)
SCHEMBL29640839 0.81 DYRK1A (0.34) DYRK1A
SCHEMBL29640876 0.80 DYRK1A (0.37) DYRK1A
SCHEMBL29640843 0.79 MAPT (0.40) 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-114502163-A Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2022-05-13 CN disclosed