⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1504501 | 1.00 | — | — | |
| SCHEMBL1504484 | 0.92 | NPC1 (0.32) | — | |
| SCHEMBL1504480 | 0.92 | NPC1 (0.32) | — | |
| SCHEMBL1504496 | 0.89 | — | — | |
| SCHEMBL1504493 | 0.89 | — | — | |
| SCHEMBL1504366 | 0.81 | JAK1 (0.42) | — | |
| SCHEMBL1504579 | 0.80 | NPC1 (0.32) | — | |
| SCHEMBL1504582 | 0.80 | NPC1 (0.32) | — | |
| SCHEMBL1504476 | 0.80 | JAK1 (0.46) | — | |
| SCHEMBL1504404 | 0.80 | 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 6 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 |
| 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 |
| WO-2011031554-A2 | HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2011-03-17 | — | — | WO | disclosed |