⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20748869 | 0.89 | — | — | |
| SCHEMBL20748967 | 0.85 | PDE4D (0.33) | — | |
| SCHEMBL20748864 | 0.84 | POLB (0.30) | — | |
| SCHEMBL20748887 | 0.80 | — | — | |
| SCHEMBL20748843 | 0.70 | POLB (0.31) | — | |
| SCHEMBL20749015 | 0.69 | — | — | |
| SCHEMBL20748867 | 0.69 | PDE4D (0.35) | — | |
| SCHEMBL20749021 | 0.67 | CSNK1E (0.56) | — | |
| SCHEMBL20748908 | 0.66 | PDE4D (0.33) | — | |
| SCHEMBL20748852 | 0.59 | CSNK1D (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3068785-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-06-26 | — | — | EP | disclosed |
| EP-3068784-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-02-20 | — | — | EP | disclosed |