SCHEMBL25761495

SCHEMBL25761495

CC(C)(C)OC(=O)N[C@H]1CSc2cc(N3CCCC3)c(Br)cc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CTSD P07339 5/20 0.32
▸ BACE1 P56817 4/20 0.32
▸ PLG P00747 1/20 0.32
▸ SUV39H2 Q9H5I1 1/20 0.31
▸ MAP4K4 O95819 2/20 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
SCHEMBL25767743 0.88 GAA (0.41) GAAPIM1PIM3PIM2HTT
SCHEMBL26961700 0.84 GAA (0.41) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL29796701 0.84 GAA (0.41) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL5735937 0.83 GAA (0.42) GAALMNAEPHX2NFKB1NFKB2
SCHEMBL25584629 0.83 GAA (0.42) GAALMNAEPHX2NFKB1NFKB2
SCHEMBL5969627 0.83 GAA (0.42) GAALMNAEPHX2NFKB1NFKB2
SCHEMBL25761496 0.82 GAA (0.36) GAANFKB1NFKB2RELAL3MBTL1
SCHEMBL25766630 0.82 GAA (0.41) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL25761124 0.82 GAA (0.41) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL26962143 0.81 GAA (0.40) GAAEPHX2NFKB1NFKB2RELA

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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