⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9928675 | 0.77 | JAK2 (0.43) | — | |
| SCHEMBL9929348 | 0.69 | JAK2 (0.45) | — | |
| SCHEMBL15621463 | 0.68 | MAPK1 (0.34) | — | |
| SCHEMBL9929276 | 0.65 | MAPK1 (0.33) | — | |
| SCHEMBL9928883 | 0.65 | JAK2 (0.42) | — | |
| SCHEMBL9929024 | 0.65 | CSNK1A1 (0.37) | — | |
| SCHEMBL9929035 | 0.65 | MAPK1 (0.32) | — | |
| SCHEMBL2166032 | 0.65 | MAPK1 (0.32) | — | |
| SCHEMBL9929195 | 0.63 | POLB (0.33) | — | |
| SCHEMBL9928954 | 0.62 | MEN1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3660016-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Holdings Corporation (US) | 2020-06-03 | — | — | EP | disclosed |