⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4204826 | 0.90 | POLB (0.30) | — | |
| SCHEMBL4199003 | 0.85 | BRD4 (0.36) | — | |
| SCHEMBL4202856 | 0.81 | CYP2D6 (0.32) | — | |
| SCHEMBL4197849 | 0.79 | LMNA (0.43) | — | |
| SCHEMBL4207795 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL4507280 | 0.78 | IKBKB (0.33) | — | |
| SCHEMBL4508646 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL4203232 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL4505043 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL4203465 | 0.76 | SMYD3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090275567-A1 | 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2009-11-05 | — | — | US | disclosed |
| EP-2032559-A1 | 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | AstraZeneca AB (SE) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007138268-A1 | 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2007-12-06 | — | — | WO | disclosed |