⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169778 | 0.78 | — | — | |
| SCHEMBL99620 | 0.73 | — | — | |
| SCHEMBL1426230 | 0.73 | — | — | |
| SCHEMBL1835034 | 0.71 | — | — | |
| SCHEMBL349627 | 0.71 | — | — | |
| SCHEMBL17258228 | 0.71 | — | — | |
| SCHEMBL6587698 | 0.71 | — | — | |
| SCHEMBL16305564 | 0.71 | — | — | |
| SCHEMBL16626809 | 0.71 | — | — | |
| SCHEMBL20054134 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2018071314-A1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-19 | — | — | WO | disclosed |
| EP-2245033-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | disclosed |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2010-10-21 | — | — | US | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |