⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28441102 | 0.90 | — | — | |
| SCHEMBL28897516 | 0.88 | PTK2 (0.60) | — | |
| SCHEMBL28435360 | 0.86 | JAK2 (0.56) | — | |
| SCHEMBL28437342 | 0.84 | JAK2 (0.49) | — | |
| SCHEMBL28451616 | 0.79 | — | — | |
| SCHEMBL28434556 | 0.79 | TAAR1 (0.53) | — | |
| SCHEMBL28442012 | 0.78 | JAK2 (0.57) | — | |
| SCHEMBL28447915 | 0.78 | JAK2 (0.45) | — | |
| SCHEMBL28443651 | 0.77 | JAK2 (0.56) | — | |
| SCHEMBL28442721 | 0.77 | FGFR4 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111423384-B | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2021-10-15 | — | — | CN | claimed |
| CN-111423384-A | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2020-07-17 | — | — | CN | claimed |
| CN-111423384-B | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-111423384-A | 2-aminopyrimidine compounds and application thereof | 沈阳药科大学 | 2020-07-17 | — | — | CN | disclosed |