⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1260782 | 0.81 | — | — | |
| SCHEMBL6064042 | 0.78 | — | — | |
| SCHEMBL29617157 | 0.78 | — | — | |
| SCHEMBL23829747 | 0.72 | ABCC4 (0.45) | — | |
| SCHEMBL29424379 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL1608237 | 0.71 | — | — | |
| SCHEMBL4646811 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL2954860 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL1246749 | 0.71 | — | — | |
| SCHEMBL30680865 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011144584-A1 | PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-24 | — | — | WO | disclosed |
| US-20110288097-A1 | Pyrrolopyrazine Kinase Inhibitors | HENDRICKS ROBERT THAN (US) | 2011-11-24 | — | — | US | disclosed |
| WO-2011117145-A2 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-09-29 | — | — | WO | disclosed |
| US-20110230462-A1 | Pyrrolopyrazine Kinase Inhibitors | HENDRICKS ROBERT THAN | 2011-09-22 | — | — | US | disclosed |
| US-20110137025-A1 | CHEMICAL FRAMEWORK COMPOSITIONS AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-06-09 | — | — | US | disclosed |