⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL671939 | 0.74 | — | — | |
| SCHEMBL403109 | 0.63 | — | — | |
| SCHEMBL3068150 | 0.61 | SCN4A (0.62) | — | |
| SCHEMBL21091683 | 0.61 | — | — | |
| SCHEMBL23583665 | 0.61 | KDM4E (0.30) | — | |
| SCHEMBL23034861 | 0.60 | — | — | |
| SCHEMBL9597088 | 0.58 | — | — | |
| SCHEMBL23230055 | 0.58 | — | — | |
| SCHEMBL157023 | 0.57 | — | — | |
| SCHEMBL155499 | 0.57 | — | — |
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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102105484-A | Estratriene derivatives comprising heterocyclic bioisosteres for the phenolic a-ring | BAYER SCHERING PHARMA AG | 2011-06-22 | — | — | CN | claimed |
| US-12617789-B2 | Small molecular inhibitors of NF-κb inducing kinase | JANSSEN PHARMACEUTICA NV (BE) | 2026-05-05 | — | — | US | disclosed |
| US-20250171453-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2025-05-29 | — | — | US | disclosed |
| EP-4467199-A2 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN Pharmaceutica NV (BE) | 2024-11-27 | — | — | EP | disclosed |
| US-12152032-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2024-11-26 | — | — | US | 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 |
| EP-3976597-B1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2024-08-28 | — | — | EP | 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 |
| US-20240199605-A1 | SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2024-06-20 | — | — | US | disclosed |
| US-20240050437-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2024-02-15 | — | — | US | disclosed |
| US-20150111874-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2015-04-23 | — | — | US | disclosed |
| WO-2015051244-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |
| WO-2015051244-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |
| CN-103539784-A | Heterocyclic benzamide compounds, pharmaceutical compositions as well as application thereof | GUANGZHOU INST BIOMED & HEALTH | 2014-01-29 | — | — | CN | disclosed |
| CN-102781923-A | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INT | 2012-11-14 | — | — | CN | disclosed |
| CN-102459224-A | 5-alkynyl-pyridines | BOEHRINGER INGELHEIM INT | 2012-05-16 | — | — | CN | disclosed |
| CN-102112450-A | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INT | 2011-06-29 | — | — | CN | disclosed |
| CN-102105484-A | Estratriene derivatives comprising heterocyclic bioisosteres for the phenolic a-ring | BAYER SCHERING PHARMA AG | 2011-06-22 | — | — | CN | disclosed |
| WO-2010122069-A1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |
| WO-2010012740-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-04 | — | — | WO | disclosed |