⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17753807 | 1.00 | — | — | |
| SCHEMBL4856818 | 0.81 | KDM4E (0.44) | — | |
| SCHEMBL4856814 | 0.81 | KDM4E (0.44) | — | |
| SCHEMBL1956799 | 0.81 | KDM4E (0.44) | — | |
| SCHEMBL1358143 | 0.79 | — | — | |
| SCHEMBL6194847 | 0.79 | — | — | |
| SCHEMBL1358140 | 0.79 | — | — | |
| SCHEMBL28933600 | 0.77 | — | — | |
| SCHEMBL347503 | 0.75 | — | — | |
| SCHEMBL20640327 | 0.73 | — | — |
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-7579349-B2 | 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer | ASTRAZENECA AB (SE) | 2009-08-25 | — | — | US | disclosed |
| EP-1678169-B1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-07-22 | — | — | EP | disclosed |
| US-20070037888-A1 | anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | US | disclosed |