⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2586827 | 0.86 | — | — | |
| SCHEMBL1486103 | 0.80 | FDPS (0.34) | — | |
| SCHEMBL4189310 | 0.80 | FDPS (0.34) | — | |
| SCHEMBL1696717 | 0.77 | OPRD1 (0.35) | — | |
| SCHEMBL2411214 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL130983 | 0.77 | ALDH1A1 (0.41) | — | |
| Sulfuric Acid SCHEMBL29036121 | 0.76 | OPRD1 (0.35) | — | |
| SCHEMBL30708584 | 0.76 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28323474 | 0.76 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL28144653 | 0.76 | ALDH1A1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1968598-B1 | PYRIMIDINE-2,4-DIAMINES AND THEIR USES | RIGEL PHARMACEUTICALS INC (US) | 2014-02-19 | — | — | EP | disclosed |
| US-7713987-B2 | Pyrimidine-2,4-diamines and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1968598-A1 | PYRIMIDINE-2,4-DIAMINES AND THEIR USES | Rigel Pharmaceuticals, Inc. (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2008088303-A1 | PYRIMIDINE-2,4-DIAMINES AND THEIR USES | RIGEL, PHARMACEUTICALS, INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| US-20070129362-A1 | Pyrimidine-2,4-diamines and their uses | MIDCAP FINANCIAL TRUST | 2007-06-07 | — | — | US | disclosed |
| US-20070129360-A1 | N2-Chlorocarbonyl-N4-(2,2-dimethyl-3-oxo-4H-5-pyrido[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine; kinase inhibitors; breast cancer; inhibiting signal transduction cascades in which Syk plays a role | PHAMIDIPATI SOMASEKHAR | 2007-06-07 | — | — | US | disclosed |