⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10125215 | 0.79 | — | — | |
| SCHEMBL8477052 | 0.77 | — | — | |
| SCHEMBL17410230 | 0.77 | CTPS1 (0.42) | — | |
| SCHEMBL3450 | 0.74 | — | — | |
| SCHEMBL1612962 | 0.74 | — | — | |
| SCHEMBL23523357 | 0.73 | — | — | |
| SCHEMBL1665488 | 0.73 | — | — | |
| SCHEMBL21963324 | 0.73 | — | — | |
| SCHEMBL3248570 | 0.73 | — | — | |
| SCHEMBL13994713 | 0.72 | ALDH1A1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2509602-B9 | PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS | SENHWA BIOSCIENCES INC (TW) | 2017-11-01 | — | — | EP | disclosed |
| EP-2509602-B1 | PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS | SENHWA BIOSCIENCES INC (TW) | 2017-01-25 | — | — | EP | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |