⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4999 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL665298 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL666794 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4526940 | 0.77 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL2093857 | 0.77 | — | — | |
| SCHEMBL2096797 | 0.73 | — | — | |
| SCHEMBL1715478 | 0.73 | SMN1; SMN2 (0.64) | — | |
| SCHEMBL2096409 | 0.71 | EPHX1 (0.63) | — | |
| SCHEMBL879434 | 0.71 | EPHX1 (0.63) | — | |
| SCHEMBL29387770 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655652-B2 | 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis | ASTRAZENECA AB (SE) | 2010-02-02 | — | — | US | claimed |
| US-20070161615-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | claimed |
| EP-1748999-A1 | IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | AstraZeneca AB (SE) | 2007-02-07 | — | — | EP | claimed |
| WO-2005075461-A1 | IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | claimed |
| US-7655652-B2 | 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis | ASTRAZENECA AB (SE) | 2010-02-02 | — | — | US | disclosed |
| US-20070161615-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | US | disclosed |
| EP-1748999-A1 | IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | AstraZeneca AB (SE) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005075461-A1 | IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |