⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1099040 | 0.86 | — | — | |
| SCHEMBL1678886 | 0.86 | — | — | |
| SCHEMBL8565560 | 0.85 | — | — | |
| SCHEMBL127960 | 0.83 | — | — | |
| SCHEMBL1679363 | 0.83 | CYP1A2 (0.48) | — | |
| SCHEMBL129587 | 0.79 | — | — | |
| SCHEMBL1098031 | 0.78 | — | — | |
| SCHEMBL134071 | 0.76 | — | — | |
| SCHEMBL4703589 | 0.74 | NCF1 (0.52) | — | |
| SCHEMBL3295951 | 0.74 | — | — |
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 234 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962608-B2 | Cycloalkylnitrile pyrazole carboxamides as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-02-24 | — | — | US | claimed |
| US-20140243309-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-28 | — | — | US | claimed |
| US-20140128373-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2014-05-08 | — | — | US | claimed |
| EP-2672967-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | Plexxikon, Inc. (US) | 2013-12-18 | — | — | EP | claimed |
| WO-2012109075-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2012-08-16 | — | — | WO | claimed |
| US-20110269781-A1 | COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-11-03 | — | — | US | claimed |
| US-7977344-B2 | Compounds | GLAXOSMITHKLINE LLC (US) | 2011-07-12 | — | — | US | claimed |
| EP-2125792-A1 | PURINE DERIVATIVES AS IMMUNOMODULATORS | Smithkline Beecham Corporation (US) | 2009-12-02 | — | — | EP | claimed |
| US-20090131458-A1 | Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-21 | — | — | US | claimed |
| WO-2008101867-A1 | PURINE DERIVATIVES AS IMMUNOMODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-08-28 | — | — | WO | claimed |
| US-20230277534-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2023-09-07 | — | — | US | disclosed |
| US-11337976-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2022-05-24 | — | — | US | disclosed |
| US-20210393634-A1 | PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT | KEIO UNIVERSITY (JP) | 2021-12-23 | — | — | US | disclosed |
| EP-3821893-A1 | PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT | Keio University (JP) | 2021-05-19 | — | — | EP | disclosed |
| US-10421761-B2 | Compounds for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2019-09-24 | — | — | US | disclosed |
| US-5714479-A | TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-03 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |
| EP-0392317-B1 | Benzimidazoles, drugs containing these compounds and process for their preparation | THOMAE GMBH DR K (DE) | 1996-01-03 | — | — | EP | disclosed |
| EP-0392317-A2 | Benzimidazoles, drugs containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1990-10-17 | — | — | EP | disclosed |