⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497813 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL18669876 | 0.77 | — | — | |
| Formic Acid SCHEMBL28101002 | 0.74 | APLNR (0.35) | — | |
| SCHEMBL17490369 | 0.71 | APLNR (0.35) | — | |
| SCHEMBL1933726 | 0.70 | APLNR (0.31) | — | |
| SCHEMBL8216679 | 0.70 | — | — | |
| SCHEMBL9992835 | 0.69 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL13186160 | 0.67 | — | — | |
| SCHEMBL16716218 | 0.67 | — | — | |
| SCHEMBL22495741 | 0.65 | ACHE (0.42) | — |
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 4 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 |
| CN-105008362-A | Pyrrolo [2,3-D ] pyrimidine derivatives as janus-related kinase (JAK) inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |