⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14738425 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL14738396 | 0.74 | CHEK1 (0.30) | — | |
| SCHEMBL14738015 | 0.72 | BACE1 (0.31) | — | |
| SCHEMBL14738017 | 0.70 | — | — | |
| SCHEMBL28358722 | 0.67 | KDM4E (0.42) | — | |
| SCHEMBL30107987 | 0.60 | CA12 (0.34) | — | |
| SCHEMBL14738482 | 0.59 | ITK (0.40) | — | |
| SCHEMBL14737727 | 0.59 | CHEK1 (0.32) | — | |
| SCHEMBL14737185 | 0.58 | GSK3B (0.47) | — | |
| SCHEMBL14737848 | 0.58 | MAP2K4 (0.43) | — |
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-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |
| US-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |