⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10276744 | 1.00 | — | — | |
| SCHEMBL30761590 | 0.84 | SMARCA2 (0.31) | — | |
| SCHEMBL10276865 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL1439441 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL1438938 | 0.80 | — | — | |
| SCHEMBL1440547 | 0.80 | — | — | |
| SCHEMBL31651101 | 0.80 | CYP17A1 (0.34) | — | |
| SCHEMBL30679885 | 0.77 | — | — | |
| SCHEMBL30178687 | 0.77 | — | — | |
| SCHEMBL4019567 | 0.77 | HDAC6 (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-8865726-B2 | Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors | ARRAY BIOPHARMA INC. (US) | 2014-10-21 | — | — | US | disclosed |
| US-20120178715-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011029027-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-03-10 | — | — | WO | disclosed |