SCHEMBL29439744

SCHEMBL29439744

Nc1nn(-c2cccc(I)c2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.49
MPI P34949 1/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
TTK P33981 3/20 0.36
MAPT P10636 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MAP3K14 Q99558 6/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10831975 0.81 MAPT (0.47) TTKMAPTADORA3ADORA2AADORA1
SCHEMBL16517440 0.79 SCN9A (0.57) MAP3K14
SCHEMBL16516700 0.77 STAT1 (0.49) MPOMAP3K14ALDH1A1
SCHEMBL28079257 0.75 MPO (0.43) MPOMPIFAAHMGLLADORA3
SCHEMBL25222249 0.73 KHK (0.40) TTKMAPT
SCHEMBL18131331 0.73 PIK3CD (0.51) TTK
SCHEMBL16532431 0.73 ELANE (0.51) MPOMAPTMAP3K14ALDH1A1
SCHEMBL25678127 0.72 ADORA3 (0.48) MAPTADORA3ADORA2AADORA1ALDH1A1
SCHEMBL1308538 0.71 L3MBTL1 (0.59) MPOMPIFAAHMGLLMAPT
SCHEMBL16532681 0.70 ELANE (0.56) ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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