⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2751436 | 0.74 | — | — | |
| SCHEMBL10065608 | 0.74 | CYP1A2 (0.47) | — | |
| SCHEMBL30803768 | 0.74 | — | — | |
| SCHEMBL2745354 | 0.73 | — | — | |
| SCHEMBL445950 | 0.73 | — | — | |
| SCHEMBL29909710 | 0.73 | — | — | |
| SCHEMBL6056854 | 0.73 | — | — | |
| SCHEMBL28119404 | 0.73 | — | — | |
| SCHEMBL28233394 | 0.72 | CYP1A2 (0.58) | — | |
| SCHEMBL17117515 | 0.72 | MALT1 (0.59) | — |
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-11230554-B2 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS, INC. (US) | 2022-01-25 | — | — | US | disclosed |
| US-8178671-B2 | Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | RIGEL PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |