⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17138434 | 0.78 | — | — | |
| SCHEMBL17138398 | 0.76 | — | — | |
| SCHEMBL3392312 | 0.74 | — | — | |
| SCHEMBL3391891 | 0.74 | — | — | |
| SCHEMBL8037350 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL3395267 | 0.71 | — | — | |
| SCHEMBL3396359 | 0.71 | — | — | |
| SCHEMBL29134461 | 0.69 | — | — | |
| SCHEMBL4963852 | 0.68 | MAPT (0.33) | — | |
| SCHEMBL5112438 | 0.67 | CA2 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9707233-B2 | Heterocyclylamines as PI3K inhibitors | INCYTE HOLDINGS CORPORATION (US) | 2017-07-18 | — | — | US | disclosed |
| 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-20160022685-A1 | HETEROCYCLYLAMINES AS PI3K INHIBITORS | INCYTE CORPORATION | 2016-01-28 | — | — | 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 |