⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL6613177 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL5743434 | 0.80 | NOS2 (0.44) | — | |
| SCHEMBL11954926 | 0.76 | TP53 (0.32) | — | |
| SCHEMBL5312279 | 0.73 | RECQL (0.33) | — | |
| SCHEMBL5030111 | 0.71 | PIK3CD (0.34) | — | |
| SCHEMBL5743754 | 0.69 | — | — | |
| SCHEMBL501357 | 0.68 | UHRF1 (0.39) | — | |
| SCHEMBL2529902 | 0.67 | KIF11 (0.38) | — | |
| SCHEMBL5465608 | 0.67 | NOS3 (0.40) | — | |
| SCHEMBL5311884 | 0.64 | DGAT1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404672-B1 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2006-01-18 | — | — | EP | disclosed |
| US-6875767-B2 | (5-cyano-2-thiazolyl)amino-4-pyridine tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2005-04-05 | — | — | US | disclosed |
| EP-1404672-A1 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| US-20030100567-A1 | Tyrosine kinase inhibitors | MERCK & CO., INC. | 2003-05-29 | — | — | US | disclosed |
| WO-2003000687-A1 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-01-03 | — | — | WO | disclosed |