⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21557943 | 0.76 | MAPK1 (0.38) | — | |
| SCHEMBL21557955 | 0.75 | — | — | |
| SCHEMBL22403200 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL22403131 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL21557649 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL22403197 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL21557845 | 0.74 | RAB9A (0.40) | — | |
| SCHEMBL21557940 | 0.74 | RAB9A (0.40) | — | |
| SCHEMBL18892001 | 0.73 | CHRNB2 (0.37) | — | |
| SCHEMBL18891808 | 0.72 | ACVR1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3377491-B1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV DISCOVERY (FR) | 2019-11-13 | — | — | EP | disclosed |