⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7876181 | 0.87 | — | — | |
| SCHEMBL10238683 | 0.83 | ATR (0.34) | — | |
| SCHEMBL10238682 | 0.81 | ATR (0.35) | — | |
| SCHEMBL2724778 | 0.79 | — | — | |
| SCHEMBL14299090 | 0.75 | CRHR1 (0.35) | — | |
| SCHEMBL30034 | 0.74 | — | — | |
| SCHEMBL14298764 | 0.73 | CKS1B (0.38) | — | |
| SCHEMBL2724774 | 0.73 | — | — | |
| SCHEMBL10238476 | 0.72 | CHEK1 (0.32) | — | |
| SCHEMBL20772 | 0.72 | KDM4E (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| WO-2010118207-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | SCHERING CORPORATION (US) | 2010-10-14 | — | — | WO | disclosed |