⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28311572 | 0.73 | — | — | |
| SCHEMBL23705578 | 0.72 | PKM (0.62) | — | |
| SCHEMBL9918672 | 0.71 | MLYCD (0.43) | — | |
| SCHEMBL19791965 | 0.71 | PKM (0.60) | — | |
| SCHEMBL2235412 | 0.70 | PKM (0.42) | — | |
| SCHEMBL13539050 | 0.70 | PKM (0.42) | — | |
| SCHEMBL9193896 | 0.68 | PKM (0.41) | — | |
| SCHEMBL27594334 | 0.68 | PKM (0.41) | — | |
| SCHEMBL15098118 | 0.67 | CNR1 (0.43) | — | |
| SCHEMBL8440145 | 0.67 | TUBB4A (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012106448-A1 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-08-09 | — | — | WO | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | 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 |