⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214879 | 0.81 | MAPT (0.34) | — | |
| SCHEMBL214743 | 0.76 | CCNA2 (0.37) | — | |
| SCHEMBL215894 | 0.71 | POLB (0.36) | — | |
| SCHEMBL2735464 | 0.70 | GAA (0.45) | — | |
| SCHEMBL2735399 | 0.70 | GAA (0.45) | — | |
| SCHEMBL4104869 | 0.69 | — | — | |
| SCHEMBL3331829 | 0.68 | CCNA2 (0.42) | — | |
| SCHEMBL214638 | 0.67 | PARP1 (0.35) | — | |
| SCHEMBL214752 | 0.66 | BTK (0.32) | — | |
| SCHEMBL213661 | 0.63 | TOP2A (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088767-B2 | JAK-2 modulators and methods of use | EXELIXIS, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20100136136-A1 | JAK-2 Modulators and Methods of Use | EXELIXIS, INC. (US) | 2010-06-03 | — | — | US | disclosed |
| EP-2061768-A2 | IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS | Exelixis, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008042282-A2 | IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS | EXELIXIS, INC. (US) | 2008-04-10 | — | — | WO | disclosed |