⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1470127 | 0.74 | — | — | |
| SCHEMBL4173587 | 0.69 | — | — | |
| SCHEMBL1973893 | 0.67 | — | — | |
| SCHEMBL26313846 | 0.67 | — | — | |
| SCHEMBL15044043 | 0.67 | — | — | |
| SCHEMBL9180421 | 0.67 | — | — | |
| SCHEMBL7090160 | 0.65 | — | — | |
| Trifluoroethanol SCHEMBL4869 | 0.65 | — | — | |
| Trifluoroethanol SCHEMBL8952016 | 0.65 | — | — | |
| Trifluoroethanol SCHEMBL28192499 | 0.65 | MEN1 (0.36) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8338417-B2 | Compounds and compositions as c-kit and PDGFR kinase inhibitors | IRM LLC (BM) | 2012-12-25 | — | — | US | claimed |
| US-20100234406-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2010-09-16 | — | — | US | claimed |
| EP-2152688-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2010-02-17 | — | — | EP | claimed |
| WO-2008137794-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2008-11-13 | — | — | WO | claimed |
| US-8338417-B2 | Compounds and compositions as c-kit and PDGFR kinase inhibitors | IRM LLC (BM) | 2012-12-25 | — | — | US | disclosed |
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20100234406-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2010-09-16 | — | — | US | disclosed |
| EP-2152688-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008137794-A1 | COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2008-11-13 | — | — | WO | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | WO | disclosed |