⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17874213 | 0.90 | — | — | |
| SCHEMBL1633779 | 0.78 | — | — | |
| SCHEMBL24968152 | 0.69 | — | — | |
| SCHEMBL5730671 | 0.67 | — | — | |
| Cyanide SCHEMBL27271624 | 0.63 | — | — | |
| SCHEMBL8764171 | 0.63 | — | — | |
| SCHEMBL13540239 | 0.62 | — | — | |
| SCHEMBL9563251 | 0.61 | — | — | |
| SCHEMBL9647902 | 0.61 | CRBN (0.43) | — | |
| SCHEMBL12446829 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107089985-B | Pyrrolo- [2,3-D] pyrimidine derivatives as Zhan Nasi associated kinase (JAK) inhibitor | 辉瑞大药厂 | 2019-06-07 | — | — | CN | disclosed |
| CN-107089985-A | It is used as pyrrolo- [2,3 D] pyrimidine derivatives of Zhan Nasi associated kinases (JAK) inhibitor | 辉瑞大药厂 | 2017-08-25 | — | — | CN | disclosed |
| CN-105008362-B | Pyrrolo [2,3-D ] pyrimidine derivatives as janus-related kinase (JAK) inhibitors | 辉瑞大药厂 | 2017-06-06 | — | — | CN | disclosed |