⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4699937 | 0.79 | — | — | |
| SCHEMBL4697112 | 0.77 | HTT (0.30) | — | |
| SCHEMBL4700152 | 0.75 | PDE1A (0.33) | — | |
| SCHEMBL21879872 | 0.74 | GPR35 (0.37) | — | |
| SCHEMBL4513606 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL1447930 | 0.64 | NR4A2 (0.32) | — | |
| SCHEMBL28173267 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL5772527 | 0.62 | LSS (0.44) | — | |
| SCHEMBL5256627 | 0.62 | CTNNB1 (0.38) | — | |
| SCHEMBL4797425 | 0.62 | MLYCD (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2301928-A1 | Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders | AstraZeneca AB (SE) | 2011-03-30 | — | — | EP | disclosed |
| EP-1828183-A1 | 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS | AstraZeneca AB (SE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006064251-A1 | 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS | ASTRAZENECA AB (SE) | 2006-06-22 | — | — | WO | disclosed |