SCHEMBL25761083

SCHEMBL25761083

CC(C)(C)OC(=O)N[C@H]1CSc2nc(Cl)ncc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ BTK Q06187 1/20 0.35
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ DDB1 Q16531 3/20 0.33
▸ CRBN Q96SW2 3/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ CTSD P07339 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL25759562 0.83 GAA (0.42) GAAEPHX2JAK3BTKNFKB1
SCHEMBL25760377 0.80 GAA (0.41) GAAEPHX2JAK3BTKNFKB1
SCHEMBL25761084 0.78 SCN9A (0.36) GAASTK17BSTK17AJAK3BTK
SCHEMBL29270803 0.75 GAA (0.43) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL25766051 0.75 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL20264341 0.74 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL3484895 0.73 EPHX2 (0.49) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL3484898 0.73 EPHX2 (0.49) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL20287567 0.73 GAA (0.39) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL20263891 0.73 GAA (0.40) GAAEPHX2BTKNFKB1NFKB2

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
WO-2023119210-A1 NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2023-06-29 — — WO disclosed
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