⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19457988 | 0.83 | — | — | |
| SCHEMBL10769120 | 0.81 | GABRP (0.37) | — | |
| SCHEMBL13007145 | 0.80 | — | — | |
| SCHEMBL14677380 | 0.80 | — | — | |
| SCHEMBL11646209 | 0.78 | — | — | |
| SCHEMBL18130910 | 0.78 | — | — | |
| Water SCHEMBL20450641 | 0.78 | DPP4 (0.32) | — | |
| SCHEMBL7021281 | 0.78 | — | — | |
| SCHEMBL2633040 | 0.78 | — | — | |
| SCHEMBL12538862 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140155376-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| US-20140155376-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| US-20140155376-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| EP-2571880-A1 | PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011144585-A1 | PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-24 | — | — | WO | disclosed |
| US-20110288067-A1 | Pyrrolopyrazine Kinase Inhibitors | HENDRICKS ROBERT THAN (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110288067-A1 | Pyrrolopyrazine Kinase Inhibitors | HENDRICKS ROBERT THAN (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110288067-A1 | Pyrrolopyrazine Kinase Inhibitors | HENDRICKS ROBERT THAN (US) | 2011-11-24 | — | — | US | disclosed |