⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1226347 | 0.75 | — | — | |
| SCHEMBL704051 | 0.74 | — | — | |
| SCHEMBL17211382 | 0.72 | — | — | |
| SCHEMBL16532064 | 0.72 | — | — | |
| SCHEMBL704253 | 0.70 | ADRB2 (0.38) | — | |
| SCHEMBL7931021 | 0.67 | — | — | |
| SCHEMBL706504 | 0.67 | — | — | |
| SCHEMBL9410812 | 0.67 | THRB (0.38) | — | |
| SCHEMBL828334 | 0.67 | CA2 (0.32) | — | |
| SCHEMBL4457683 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247592-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-7939531-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-05-10 | — | — | US | disclosed |
| EP-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |
| US-20090215750-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2009-08-27 | — | — | US | disclosed |