Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL30080281 | 1.00 | ADORA2A (0.38) | ADORA2AADORA2BADORA1NISCHHSP90AA1 | |
| SCHEMBL22304359 | 0.86 | ADORA2A (0.36) | ADORA2AADORA2BADORA1NISCH | |
| SCHEMBL30080613 | 0.84 | NISCH (0.39) | ADORA2AADORA2BADORA1NISCH | |
| SCHEMBL28569440 | 0.82 | ADORA2A (0.34) | ADORA2AADORA2BADORA1NISCH | |
| SCHEMBL24326460 | 0.82 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1 | |
| SCHEMBL22502015 | 0.78 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1 | |
| SCHEMBL29566720 | 0.77 | HSP90AA1 (0.36) | HSP90AA1HSP90AB1 | |
| SCHEMBL24309477 | 0.77 | HSP90AA1 (0.36) | HSP90AA1HSP90AB1 | |
| SCHEMBL22304360 | 0.76 | ADORA2A (0.59) | ADORA2AADORA2BADORA1 | |
| SCHEMBL31108299 | 0.76 | ADORA2A (0.59) | ADORA2AADORA2BADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112996783-B | 2-aminopyrimidine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-112996783-A | 2-aminopyrimidine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2021-06-18 | — | — | CN | disclosed |
| WO-2020156505-A1 | 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES | 江苏恒瑞医药股份有限公司 | 2020-08-06 | — | — | WO | disclosed |