⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17138395 | 0.77 | — | — | |
| SCHEMBL20241157 | 0.77 | — | — | |
| SCHEMBL15991986 | 0.77 | HPGD (0.36) | — | |
| SCHEMBL7618847 | 0.67 | — | — | |
| SCHEMBL20397 | 0.62 | — | — | |
| SCHEMBL11606547 | 0.60 | CYP1A2 (0.46) | — | |
| SCHEMBL22118202 | 0.60 | CYP3A4 (0.59) | — | |
| SCHEMBL29663837 | 0.60 | CYP3A4 (0.59) | — | |
| SCHEMBL58243 | 0.60 | CYP3A4 (0.35) | — | |
| SCHEMBL20240860 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9527848-B2 | N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors | INCYTE HOLDINGS CORPORATION (US) | 2016-12-27 | — | — | US | disclosed |
| US-20150284390-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2015-10-08 | — | — | US | disclosed |