⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9951931 | 0.94 | PIK3CD (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL9951953 | 0.88 | PIK3CD (0.41) | — | |
| SCHEMBL9952134 | 0.83 | PIK3CD (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL9953549 | 0.80 | PIK3CD (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL9952183 | 0.78 | PIK3CD (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL9952120 | 0.78 | PIK3CD (0.37) | — | |
| SCHEMBL9952839 | 0.77 | PIK3CD (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL9928812 | 0.76 | PIK3CD (0.39) | — | |
| SCHEMBL9953700 | 0.74 | PIK3CD (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL9929324 | 0.74 | PIK3CD (0.47) | — |
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-2655374-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Corporation (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087881-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |