SCHEMBL29439411

SCHEMBL29439411

CN1CC[C@@](O)(C#Cc2cccc(-c3cc(C4CCOCC4)c4ncnc(N)c4n3)c2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.55
▸ PKD1 P98161 1/20 0.51

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
SCHEMBL22715280 1.00 MAP3K14 (0.55) MAP3K14PKD1
SCHEMBL22715283 1.00 MAP3K14 (0.55) MAP3K14PKD1
SCHEMBL22744231 1.00 MAP3K14 (0.55) MAP3K14PKD1
SCHEMBL22716281 0.95 MAP3K14 (0.58) MAP3K14PKD1
SCHEMBL22716283 0.95 MAP3K14 (0.58) MAP3K14PKD1
SCHEMBL22715068 0.93 MAP3K14 (0.56) MAP3K14PKD1
SCHEMBL22715064 0.93 MAP3K14 (0.56) MAP3K14PKD1
SCHEMBL22744264 0.87 MAP3K14 (0.55) MAP3K14PKD1
SCHEMBL22715688 0.86 MAP3K14 (0.55) MAP3K14PKD1
SCHEMBL29439443 0.86 MAP3K14 (0.55) MAP3K14PKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 — — EP claimed
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
Send feedback