⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7884281 | 1.00 | — | — | |
| SCHEMBL2679470 | 1.00 | — | — | |
| SCHEMBL600470 | 0.95 | PDE10A (0.32) | — | |
| SCHEMBL7881248 | 0.88 | CDK2 (0.31) | — | |
| SCHEMBL7885516 | 0.84 | PDE10A (0.33) | — | |
| SCHEMBL2679823 | 0.83 | CRHR1 (0.32) | — | |
| SCHEMBL20682 | 0.81 | PDE10A (0.34) | — | |
| SCHEMBL22064 | 0.81 | PDE10A (0.34) | — | |
| SCHEMBL15026289 | 0.80 | CDK2 (0.38) | — | |
| SCHEMBL2679434 | 0.80 | CHEK1 (0.34) | — |
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-8591943-B2 | Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-11-26 | — | — | US | disclosed |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |