⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1504570 | 1.00 | — | — | |
| SCHEMBL1504694 | 0.89 | JAK1 (0.34) | — | |
| SCHEMBL1504337 | 0.89 | JAK1 (0.34) | — | |
| SCHEMBL1504424 | 0.88 | JAK1 (0.34) | — | |
| SCHEMBL1504596 | 0.88 | JAK1 (0.34) | — | |
| SCHEMBL1504497 | 0.88 | JAK1 (0.34) | — | |
| SCHEMBL1504499 | 0.88 | JAK1 (0.34) | — | |
| SCHEMBL1504539 | 0.87 | JAK1 (0.34) | — | |
| SCHEMBL1504535 | 0.87 | JAK1 (0.34) | — | |
| SCHEMBL1504404 | 0.85 | JAK1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470537-A2 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-07-04 | — | — | EP | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| WO-2011031554-A2 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-03-17 | — | — | WO | disclosed |