⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL596096 | 0.86 | — | — | |
| SCHEMBL2679910 | 0.80 | CHEK1 (0.39) | — | |
| SCHEMBL10234992 | 0.73 | CHEK1 (0.39) | — | |
| SCHEMBL10235078 | 0.73 | CHEK1 (0.39) | — | |
| SCHEMBL619336 | 0.72 | ERAP1 (0.38) | — | |
| SCHEMBL10239080 | 0.70 | OPRL1 (0.32) | — | |
| SCHEMBL2680136 | 0.70 | — | — | |
| SCHEMBL10239088 | 0.68 | — | — | |
| SCHEMBL7874894 | 0.68 | MAP4K4 (0.41) | — | |
| SCHEMBL10239138 | 0.68 | OPRL1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2417138-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | Schering Corporation (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010118207-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | SCHERING CORPORATION (US) | 2010-10-14 | — | — | WO | disclosed |