⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5639056 | 0.72 | — | — | |
| SCHEMBL14803612 | 0.72 | POLB (0.46) | — | |
| SCHEMBL16806518 | 0.72 | CA12 (0.35) | — | |
| SCHEMBL14803685 | 0.69 | HCAR2 (0.36) | — | |
| SCHEMBL1726876 | 0.67 | — | — | |
| SCHEMBL14803778 | 0.67 | — | — | |
| SCHEMBL16409831 | 0.67 | — | — | |
| SCHEMBL181866 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL3024985 | 0.65 | — | — | |
| SCHEMBL181867 | 0.65 | ALDH1A1 (0.44) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748331-B1 | SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS | LEAD DISCOVERY CENTER GMBH (DE) | 2016-03-02 | — | — | EP | disclosed |
| US-9221807-B2 | Substituted pyridones and pyrazinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-12-29 | — | — | US | disclosed |
| US-20150329537-A2 | CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA | LEADDISCOVERY CENTER GMBH (DE) | 2015-11-19 | — | — | US | disclosed |
| US-20150329537-A2 | CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA | LEADDISCOVERY CENTER GMBH (DE) | 2015-11-19 | — | — | US | disclosed |
| US-20150239875-A1 | SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-27 | — | — | US | disclosed |
| WO-2015089210-A1 | SUBSTITUTED DIALKYL(OXIDO)-Λ4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS | ALLERGAN, INC. (US) | 2015-06-18 | — | — | WO | disclosed |
| US-20140303167-A1 | CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA | LEAD DISCOVERY CENTER GMBH (DE) | 2014-10-09 | — | — | US | disclosed |
| US-20140303167-A1 | CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA | LEAD DISCOVERY CENTER GMBH (DE) | 2014-10-09 | — | — | US | disclosed |
| US-20140287454-A1 | SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-09-25 | — | — | US | disclosed |
| US-20140287454-A1 | SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-09-25 | — | — | US | disclosed |
| US-20130079345-A1 | PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-28 | — | — | US | disclosed |
| US-20130079345-A1 | PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-28 | — | — | US | disclosed |
| WO-2011116951-A1 | PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES | LEAD DISCOVERY CENTER GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |