⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29742367 | 1.00 | — | — | |
| SCHEMBL30051850 | 0.81 | LRRK2 (0.40) | — | |
| SCHEMBL20190223 | 0.81 | LRRK2 (0.40) | — | |
| SCHEMBL29742193 | 0.80 | MAPT (0.38) | — | |
| SCHEMBL16702620 | 0.75 | LGMN (0.50) | — | |
| SCHEMBL20189325 | 0.71 | GSK3B (0.38) | — | |
| SCHEMBL20189402 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL20199859 | 0.69 | KDM4E (0.58) | — | |
| SCHEMBL25211593 | 0.66 | ALDH1A1 (0.53) | — | |
| SCHEMBL16702878 | 0.66 | FLT3 (0.37) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110198934-B | Pyrimidine carboxamides as GSK-3 inhibitors | 百时美施贵宝公司 | 2022-07-22 | — | — | CN | disclosed |
| US-11053258-B2 | Pyrimidine carboxamides as GSK-3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-06 | — | — | US | disclosed |
| 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 |
| 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 |
| 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 |
| WO-2018098413-A1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-31 | — | — | WO | disclosed |