SCHEMBL30453450

SCHEMBL30453450

[2H]c1cc(S(C)(=O)=O)cc(C2(N)N=C(N(C)c3ccc4c(C)n[nH]c4c3)C=CN2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30

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
SCHEMBL30453669 0.93
SCHEMBL30452718 0.92
SCHEMBL30452600 0.84
SCHEMBL30453940 0.83 MAPK8 (0.34) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL30453746 0.81 JAK2 (0.33)
SCHEMBL30452909 0.80 JAK2 (0.30)
SCHEMBL30453873 0.79
SCHEMBL30454256 0.78 MAPK8 (0.33)
SCHEMBL30453854 0.76 MAPK8 (0.31)
SCHEMBL30453269 0.68 DRD2 (0.31)

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed