⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2642915 | 0.84 | — | — | |
| SCHEMBL2256127 | 0.84 | — | — | |
| SCHEMBL12952541 | 0.83 | SLC6A3 (0.40) | — | |
| SCHEMBL3956722 | 0.83 | LOXL2 (0.47) | — | |
| SCHEMBL438278 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL27615021 | 0.82 | SLC6A3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL10988638 | 0.82 | SLC6A3 (0.46) | — | |
| Bromide SCHEMBL4084010 | 0.82 | LOXL2 (0.46) | — | |
| SCHEMBL5251412 | 0.79 | KCNH2 (0.43) | — | |
| SCHEMBL25226302 | 0.78 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9808466-B2 | Macrocyclic compounds as protein kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III | 2017-11-07 | — | — | US | disclosed |
| US-20160296528-A1 | MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS | Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) | 2016-10-13 | — | — | US | disclosed |
| US-8765789-B2 | 2-pyridinecarboxamide derivatives | MSD K.K. (JP) | 2014-07-01 | — | — | US | disclosed |
| US-20130085156-A1 | NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES | MSD K.K. (JP) | 2013-04-04 | — | — | US | disclosed |
| US-8344003-B2 | 2-pyridinecarboxamide derivatives | MSD K. K. (JP) | 2013-01-01 | — | — | US | disclosed |
| US-20100041660-A1 | NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES | MSD K.K. (JP) | 2010-02-18 | — | — | US | disclosed |
| US-7629362-B2 | 2-pyridine carboxamide derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| WO-2007127012-A1 | ANTIFUNGAL AGENTS | MERCK & CO., INC. (US) | 2007-11-08 | — | — | WO | disclosed |
| US-20060258701-A1 | Novel 2-pyridinecarboxamide derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-11-16 | — | — | US | disclosed |