⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16597410 | 1.00 | — | — | |
| SCHEMBL7450892 | 0.86 | — | — | |
| SCHEMBL7450895 | 0.86 | — | — | |
| SCHEMBL2749228 | 0.71 | — | — | |
| SCHEMBL286090 | 0.71 | — | — | |
| SCHEMBL2750214 | 0.71 | — | — | |
| SCHEMBL7455530 | 0.71 | — | — | |
| SCHEMBL7451802 | 0.71 | — | — | |
| SCHEMBL6789695 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL14152122 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2571881-A1 | PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | claimed |
| US-8329699-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | claimed |
| US-8329699-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |