SCHEMBL29439698

SCHEMBL29439698

C[C@@](O)(C#Cc1cccc(-c2ncc3ccnc(N)c3n2)c1)c1nccs1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.59

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
SCHEMBL22715107 1.00 MAP3K14 (0.59) MAP3K14
SCHEMBL22715111 1.00 MAP3K14 (0.59) MAP3K14
SCHEMBL29439442 0.90 MAP3K14 (0.58) MAP3K14
SCHEMBL22715800 0.90 MAP3K14 (0.58) MAP3K14
SCHEMBL22715798 0.90 MAP3K14 (0.58) MAP3K14
SCHEMBL22715389 0.88 MAP3K14 (0.57) MAP3K14
SCHEMBL22715387 0.88 MAP3K14 (0.57) MAP3K14
SCHEMBL29439521 0.88 MAP3K14 (0.57) MAP3K14
SCHEMBL23870058 0.87 MAP3K14 (0.57) MAP3K14
SCHEMBL23870057 0.87 MAP3K14 (0.57) MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 — — CN claimed
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
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