⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16984911 | 1.00 | — | — | |
| SCHEMBL509546 | 1.00 | — | — | |
| SCHEMBL738638 | 0.91 | — | — | |
| SCHEMBL19115283 | 0.87 | — | — | |
| SCHEMBL19102206 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL20763278 | 0.74 | — | — | |
| SCHEMBL11933903 | 0.73 | — | — | |
| SCHEMBL18799940 | 0.70 | — | — | |
| SCHEMBL1338928 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL18610919 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10517873-B2 | Solid forms of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide, compositions thereof and methods of their use | SIGNAL PHARMACEUTICALS, LLC (US) | 2019-12-31 | — | — | US | disclosed |
| US-20190167678-A1 | SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE | SIGNAL PHARM LLC (US) | 2019-06-06 | — | — | US | disclosed |