⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918536 | 0.79 | BRD4 (0.39) | — | |
| SCHEMBL9918546 | 0.71 | SYK (0.33) | — | |
| SCHEMBL9918538 | 0.68 | ADRA1A (0.33) | — | |
| SCHEMBL9921744 | 0.64 | ADRA1A (0.32) | — | |
| SCHEMBL9918532 | 0.60 | GRM5 (0.40) | — | |
| SCHEMBL9921664 | 0.58 | MAP3K11 (0.41) | — | |
| SCHEMBL9921770 | 0.57 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL9918554 | 0.57 | PDE3B (0.40) | — | |
| SCHEMBL9918551 | 0.56 | MAP3K11 (0.35) | — | |
| SCHEMBL9918533 | 0.56 | MAP3K11 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |