⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23277898 | 0.80 | AKR1B1 (0.34) | — | |
| SCHEMBL19045390 | 0.77 | IRAK4 (0.42) | — | |
| SCHEMBL19030352 | 0.76 | CYP1A2 (0.40) | — | |
| SCHEMBL28240880 | 0.74 | IRAK4 (0.31) | — | |
| SCHEMBL19030554 | 0.73 | MAP3K14 (0.33) | — | |
| SCHEMBL19030684 | 0.64 | LGMN (0.45) | — | |
| SCHEMBL19046313 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL28241753 | 0.62 | ALDH1A1 (0.46) | — | |
| SCHEMBL19046261 | 0.61 | IRAK4 (0.48) | — | |
| SCHEMBL19030796 | 0.61 | MAPT (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10988478-B1 | Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators | GENENTECH, INC. (US) | 2021-04-27 | — | — | US | disclosed |
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |