⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7241523 | 0.82 | ALDH1A1 (0.72) | — | |
| SCHEMBL77978 | 0.80 | — | — | |
| SCHEMBL6953219 | 0.79 | EGLN3 (0.69) | — | |
| SCHEMBL27785516 | 0.78 | ALDH1A1 (0.96) | — | |
| Bromide SCHEMBL6988476 | 0.78 | ALDH1A1 (0.96) | — | |
| SCHEMBL85945 | 0.78 | — | — | |
| SCHEMBL1179222 | 0.78 | — | — | |
| SCHEMBL28119672 | 0.78 | ALDH1A1 (0.96) | — | |
| Hydrochloric Acid SCHEMBL1904485 | 0.78 | ALDH1A1 (0.96) | — | |
| SCHEMBL412255 | 0.78 | — | — |
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-1768978-B1 | 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-07-09 | — | — | EP | disclosed |
| US-20080058332-A1 | 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer | ASTRAZENECA AB (SE) | 2008-03-06 | — | — | US | disclosed |