⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL723105 | 0.79 | PIK3CG (0.38) | — | |
| SCHEMBL723326 | 0.79 | PIK3CD (0.34) | — | |
| SCHEMBL461128 | 0.76 | BRD4 (0.31) | — | |
| SCHEMBL720486 | 0.75 | PIK3CA (0.41) | — | |
| SCHEMBL715884 | 0.74 | PIK3CD (0.43) | — | |
| SCHEMBL713193 | 0.68 | SLC9A1 (0.36) | — | |
| SCHEMBL459435 | 0.67 | SLC9A1 (0.36) | — | |
| SCHEMBL470114 | 0.66 | PIK3CA (0.39) | — | |
| SCHEMBL470165 | 0.66 | PIP4K2A (0.36) | — | |
| SCHEMBL717170 | 0.64 | PIP4K2A (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120053166-A1 | 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases | GLAXO GROUP LIMITED (GB) | 2012-03-01 | — | — | US | disclosed |