⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25395899 | 0.55 | SMN1; SMN2 (0.54) | — | |
| SCHEMBL18232238 | 0.55 | — | — | |
| SCHEMBL24714362 | 0.55 | — | — | |
| SCHEMBL19629696 | 0.53 | ADORA1 (0.34) | — | |
| SCHEMBL31291420 | 0.52 | — | — | |
| SCHEMBL7318626 | 0.50 | ADORA1 (0.32) | — | |
| SCHEMBL31244494 | 0.49 | — | — | |
| SCHEMBL19630162 | 0.49 | — | — | |
| SCHEMBL171024 | 0.48 | BRD4 (0.40) | — | |
| SCHEMBL21471528 | 0.48 | L3MBTL1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012080234-A1 | SUBSTITUTED 6-IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080228-A1 | 6-THIO-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | disclosed |