⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL954658 | 0.79 | DGAT1 (0.34) | — | |
| SCHEMBL6246780 | 0.78 | MPO (0.30) | — | |
| SCHEMBL19861557 | 0.77 | — | — | |
| SCHEMBL23791796 | 0.71 | — | — | |
| SCHEMBL22451154 | 0.69 | FDPS (0.33) | — | |
| SCHEMBL3768372 | 0.68 | — | — | |
| SCHEMBL23336912 | 0.68 | — | — | |
| SCHEMBL24708108 | 0.68 | — | — | |
| SCHEMBL19005094 | 0.68 | PAICS (0.37) | — | |
| SCHEMBL15846187 | 0.67 | KDM5B (0.36) | — |
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-3181564-B1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | HOFFMANN LA ROCHE (CH) | 2019-09-18 | — | — | EP | disclosed |
| EP-2922851-B1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | GENENTECH INC (US) | 2017-07-26 | — | — | EP | disclosed |
| EP-3181564-A1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | Genentech, Inc. (US) | 2017-06-21 | — | — | EP | disclosed |