⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL345627 | 0.84 | TACR3 (0.37) | — | |
| SCHEMBL345628 | 0.84 | TACR3 (0.37) | — | |
| SCHEMBL23355926 | 0.81 | — | — | |
| SCHEMBL14738055 | 0.79 | AKR1C3 (0.41) | — | |
| SCHEMBL1898526 | 0.78 | ITGB3 (0.38) | — | |
| SCHEMBL2004619 | 0.77 | ARG1 (0.35) | — | |
| SCHEMBL21068655 | 0.76 | NAMPT (0.33) | — | |
| SCHEMBL1299334 | 0.73 | — | — | |
| SCHEMBL21063530 | 0.72 | SLC1A2 (0.32) | — | |
| SCHEMBL17474241 | 0.72 | SIGMAR1 (0.41) | — |
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-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | disclosed |
| US-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |