⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16698729 | 0.87 | CD38 (0.31) | — | |
| SCHEMBL16700251 | 0.85 | DRD3 (0.31) | — | |
| SCHEMBL16699389 | 0.77 | CASR (0.31) | — | |
| SCHEMBL16699410 | 0.73 | CSNK1E (0.40) | — | |
| SCHEMBL16700861 | 0.72 | — | — | |
| SCHEMBL28611830 | 0.70 | CSNK1D (0.36) | — | |
| SCHEMBL16700166 | 0.69 | CASR (0.36) | — | |
| SCHEMBL23779001 | 0.66 | JAK2 (0.37) | — | |
| SCHEMBL16718784 | 0.66 | CSNK1D (0.36) | — | |
| SCHEMBL16699947 | 0.66 | CSNK1E (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9273058-B2 | Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-03-01 | — | — | US | disclosed |
| US-20150133428-A1 | NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-05-14 | — | — | US | disclosed |