⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3981968 | 0.79 | SLC6A2 (0.32) | — | |
| Acetic Acid SCHEMBL7469412 | 0.75 | L3MBTL1 (0.34) | — | |
| SCHEMBL7419651 | 0.75 | ANPEP (0.38) | — | |
| Hydrochloric Acid SCHEMBL7422701 | 0.73 | GNAO1 (0.39) | — | |
| SCHEMBL3305274 | 0.72 | PPARD (0.38) | — | |
| SCHEMBL3090613 | 0.68 | METAP1 (0.36) | — | |
| SCHEMBL21218195 | 0.67 | SLC6A2 (0.33) | — | |
| SCHEMBL1376856 | 0.66 | PPARD (0.52) | — | |
| SCHEMBL7420965 | 0.66 | KDM4E (0.38) | — | |
| SCHEMBL1829058 | 0.66 | SLC6A4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118092-A1 | NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2009-11-18 | — | — | EP | disclosed |
| WO-2009056693-A1 | NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | WO | disclosed |
| WO-2008099073-A1 | N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF | SANOFI-AVENTIS (FR) | 2008-08-21 | — | — | WO | disclosed |