⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL768038 | 1.00 | — | — | |
| SCHEMBL146291 | 0.78 | — | — | |
| SCHEMBL16106184 | 0.78 | — | — | |
| SCHEMBL3315856 | 0.78 | — | — | |
| SCHEMBL3313675 | 0.78 | — | — | |
| SCHEMBL23124402 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL18619440 | 0.77 | — | — | |
| SCHEMBL6934715 | 0.75 | — | — | |
| SCHEMBL103435 | 0.73 | — | — | |
| SCHEMBL7524063 | 0.73 | FFAR2 (0.37) | — |
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-8859574-B2 | Compounds and compositions as kinase inhibitors | IRM LLC (BM) | 2014-10-14 | — | — | US | disclosed |
| US-8859574-B2 | Compounds and compositions as kinase inhibitors | IRM LLC (BM) | 2014-10-14 | — | — | US | disclosed |
| US-20130310361-A1 | COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | IRM LLC (BM) | 2013-11-21 | — | — | US | disclosed |
| US-8519129-B2 | Pyrimidine derivatives as kinase inhibitors | IRM LLC (BM) | 2013-08-27 | — | — | US | disclosed |
| US-8519129-B2 | Pyrimidine derivatives as kinase inhibitors | IRM LLC (BM) | 2013-08-27 | — | — | US | disclosed |
| US-20110112063-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2011-05-12 | — | — | US | disclosed |
| US-20110112063-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2011-05-12 | — | — | US | disclosed |
| EP-2318392-A2 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010002655-A2 | COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | IRM LLC (BM) | 2010-01-07 | — | — | WO | disclosed |