SCHEMBL30453940

SCHEMBL30453940

[2H]c1cc(S(C)(=O)=O)cc(C2(N)N=C(Nc3ccc4c(C)n[nH]c4c3)C=CN2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
SGK1 O00141 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CHEK1 O14757 1/20 0.31
PRKD3 O94806 1/20 0.31
CDK8 P49336 1/20 0.31
LIMK1 P53667 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
TTK P33981 1/20 0.30
PDE4B Q07343 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
SCHEMBL30454256 0.93 MAPK8 (0.33) MAPK8MAPK10MAPK14
SCHEMBL30453854 0.90 MAPK8 (0.31) MAPK8MAPK10MAPK14
SCHEMBL30453450 0.83 LRRK2 (0.34) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL30453816 0.79 METAP2 (0.34)
SCHEMBL30453669 0.76
SCHEMBL30452600 0.75
SCHEMBL30452718 0.75
SCHEMBL30453269 0.72 DRD2 (0.31)
SCHEMBL30452909 0.70 JAK2 (0.30)
SCHEMBL1171920 0.69 SMN1; SMN2 (0.43) STK10SLK

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