⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23458981 | 0.90 | ALDH1A1 (0.45) | — | |
| SCHEMBL2351774 | 0.87 | ALDH1A1 (0.48) | — | |
| SCHEMBL19521305 | 0.82 | — | — | |
| Acetic Acid SCHEMBL612326 | 0.74 | ALDH1A1 (0.55) | — | |
| SCHEMBL733128 | 0.72 | — | — | |
| SCHEMBL8709644 | 0.71 | — | — | |
| SCHEMBL3962132 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL3963090 | 0.71 | — | — | |
| SCHEMBL2043119 | 0.70 | CYP1A2 (0.42) | — | |
| SCHEMBL9242257 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11053258-B2 | Pyrimidine carboxamides as GSK-3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-06 | — | — | US | disclosed |
| EP-3544968-B1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-12-30 | — | — | EP | disclosed |
| US-20200181170-A1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-06-11 | — | — | US | disclosed |
| EP-3544968-A1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098413-A1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-31 | — | — | WO | disclosed |