⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8037132 | 0.80 | — | — | |
| SCHEMBL18910521 | 0.73 | TOP1 (0.32) | — | |
| SCHEMBL5049583 | 0.73 | — | — | |
| SCHEMBL6602279 | 0.71 | — | — | |
| SCHEMBL8274598 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL151840 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL1126525 | 0.71 | — | — | |
| SCHEMBL4181558 | 0.71 | — | — | |
| SCHEMBL6682549 | 0.71 | — | — | |
| SCHEMBL1929097 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10004732-B2 | Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | NOVARTIS AG (CH) | 2018-06-26 | — | — | US | disclosed |
| US-10004732-B2 | Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | NOVARTIS AG (CH) | 2018-06-26 | — | — | US | disclosed |
| US-20170042889-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-16 | — | — | US | disclosed |
| US-20170042889-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-16 | — | — | US | disclosed |
| US-20170037032-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-09 | — | — | US | disclosed |
| US-20170037032-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-09 | — | — | US | disclosed |
| EP-2817356-A1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | Smartkem Limited (GB) | 2014-12-31 | — | — | EP | disclosed |
| EP-2817352-A1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | Smartkem Limited (GB) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124687-A1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | SMARTKEM LIMITED (GB) | 2013-08-29 | — | — | WO | disclosed |
| WO-2013124684-A1 | ORGANIC SEMICONDUCTOR COMPOSITIONS | SMARTKEM LIMITED (GB) | 2013-08-29 | — | — | WO | disclosed |