⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9798002 | 0.79 | — | — | |
| SCHEMBL3598285 | 0.79 | — | — | |
| SCHEMBL4611334 | 0.79 | — | — | |
| SCHEMBL1676617 | 0.77 | — | — | |
| SCHEMBL1676616 | 0.77 | — | — | |
| SCHEMBL11568866 | 0.75 | — | — | |
| SCHEMBL1676732 | 0.73 | — | — | |
| SCHEMBL1676731 | 0.73 | — | — | |
| SCHEMBL9539518 | 0.73 | KDM4E (0.41) | — | |
| SCHEMBL6250816 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008032036-A1 | 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2008-03-20 | — | — | WO | disclosed |
| WO-2007066102-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-06-14 | — | — | WO | disclosed |