SCHEMBL29386133

SCHEMBL29386133

COC(=O)C(O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 2/20 0.49
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
EPHX1 P07099 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.38
KCNA5 P22460 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 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
SCHEMBL1845891 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL1845889 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL24224318 1.00 MEN1 (0.54) MEN1GAAKMT2ATDP1CA12
SCHEMBL4670568 0.91 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12
SCHEMBL5079004 0.90 MEN1 (0.64) MEN1GAAKMT2ATDP1CA12
SCHEMBL27515193 0.89 MEN1 (0.58) MEN1GAAKMT2ATDP1CA12
SCHEMBL12755039 0.89 MEN1 (0.58) MEN1GAAKMT2ATDP1CA12
SCHEMBL24796278 0.86 MEN1 (0.48) MEN1GAAKMT2ATDP1CA12
SCHEMBL2636479 0.84 MEN1 (0.65) MEN1GAAKMT2ATDP1CA12
SCHEMBL15198752 0.84 MEN1 (0.56) MEN1GAAKMT2ATDP1CA12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed
CN-114057739-A Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2022-02-18 CN disclosed