⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21592510 | 0.80 | — | — | |
| SCHEMBL13181525 | 0.77 | — | — | |
| SCHEMBL14327273 | 0.74 | — | — | |
| SCHEMBL22858679 | 0.74 | — | — | |
| SCHEMBL13558464 | 0.74 | — | — | |
| SCHEMBL18204079 | 0.74 | — | — | |
| SCHEMBL23732767 | 0.72 | — | — | |
| SCHEMBL16215614 | 0.72 | — | — | |
| SCHEMBL15038207 | 0.71 | — | — | |
| SCHEMBL24723652 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021000925-A1 | PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-01-07 | — | — | WO | disclosed |
| WO-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |