⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18896321 | 0.89 | MAPK1 (0.33) | — | |
| SCHEMBL19062640 | 0.82 | AR (0.30) | — | |
| SCHEMBL19062139 | 0.76 | MAOA (0.37) | — | |
| SCHEMBL12507356 | 0.74 | FBP1 (0.34) | — | |
| SCHEMBL20963131 | 0.72 | CTSK (0.37) | — | |
| SCHEMBL12303213 | 0.72 | MAPK1 (0.33) | — | |
| SCHEMBL19062398 | 0.71 | MAPK1 (0.33) | — | |
| SCHEMBL16691083 | 0.71 | CYP11B1 (0.36) | — | |
| SCHEMBL19592431 | 0.71 | MAPK1 (0.31) | — | |
| SCHEMBL171772 | 0.70 | MAPK1 (0.32) | — |
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-2348023-B9 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE HOLDINGS CORP (US) | 2017-03-08 | — | — | EP | disclosed |