⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6781660 | 1.00 | — | — | |
| SCHEMBL1348892 | 1.00 | — | — | |
| SCHEMBL479259 | 0.82 | — | — | |
| SCHEMBL29928488 | 0.81 | TAAR1 (0.37) | — | |
| SCHEMBL13395918 | 0.78 | TAAR1 (0.33) | — | |
| SCHEMBL5933494 | 0.78 | HTR2A (0.31) | — | |
| SCHEMBL23958404 | 0.76 | CA12 (0.46) | — | |
| SCHEMBL11231368 | 0.75 | PIK3CD (0.39) | — | |
| SCHEMBL9599387 | 0.75 | — | — | |
| SCHEMBL19397732 | 0.73 | TDP1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210214339-A1 | PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF | EMD Serono Research and Development Institute, Inc. | 2021-07-15 | — | — | US | disclosed |
| WO-2021133601-A1 | THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-07-01 | — | — | WO | disclosed |
| WO-2019079375-A1 | PYRIMIDINE ΤΒΚ/ΙΚΚε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | disclosed |
| US-20170275289-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2017-09-28 | — | — | US | disclosed |
| US-6720346-B2 | (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS | AGOURON PHARMACEUTICALS, INC. | 2004-04-13 | — | — | US | disclosed |
| US-20030225147-A1 | Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use | AGOURON PHARMACEUTICALS INC. | 2003-12-04 | — | — | US | disclosed |