SCHEMBL29110609

SCHEMBL29110609

Nc1nc(N)c(C#CC2=CCN(C(=O)O)CC2)c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37

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
SCHEMBL30603872 0.83 GRM5 (0.55) GRM5
SCHEMBL19971867 0.79 GRM5 (0.31) GRM5
SCHEMBL2290995 0.70 GRM5 (0.44) GRM5
SCHEMBL28811006 0.70 GRM5 (0.47) GRM5
SCHEMBL2892482 0.70 GRM5 (0.43) GRM5
SCHEMBL8675743 0.69 GRM5 (0.49) GRM5
SCHEMBL19971864 0.68 GRM5 (0.46) GRM5
SCHEMBL2285672 0.67 GRM5 (0.42) GRM5
SCHEMBL4053802 0.66 GRM5 (0.43) GRM5
SCHEMBL4538188 0.66 GRM5 (0.36) GRM5

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-116854709-A Reversible inhibitors of Bruton's tyrosine kinase and application thereof 药雅科技(上海)有限公司 2023-10-10 CN disclosed