⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1476509 | 0.84 | — | — | |
| SCHEMBL1965395 | 0.78 | — | — | |
| SCHEMBL2100610 | 0.77 | — | — | |
| SCHEMBL2102122 | 0.74 | — | — | |
| SCHEMBL2101635 | 0.74 | — | — | |
| SCHEMBL3056682 | 0.73 | — | — | |
| SCHEMBL777755 | 0.73 | — | — | |
| SCHEMBL8333347 | 0.72 | TSHR (0.50) | — | |
| SCHEMBL2103979 | 0.72 | — | — | |
| SCHEMBL780033 | 0.71 | CA1 (0.38) | — |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240124474-A1 | HER2 MUTATION INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2024-04-18 | — | — | US | claimed |
| US-20230023851-A1 | HER2 MUTATION INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2023-01-26 | — | — | US | claimed |
| WO-2022003575-A1 | HER2 MUTATION INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2022-01-06 | — | — | WO | claimed |
| EP-2091926-B1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2015-10-21 | — | — | EP | claimed |
| US-8129358-B2 | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | claimed |
| EP-1912972-B1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2011-09-28 | — | — | EP | claimed |
| US-7902240-B2 | Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide | NOVARTIS AG (CH) | 2011-03-08 | — | — | US | claimed |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2010-02-11 | — | — | US | claimed |
| US-7626040-B2 | Substituted imidazole compounds as KSP inhibitors | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-12-01 | — | — | US | claimed |
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | claimed |
| US-20070299062-A1 | Melanin concentrating hormone antagonists | THE PROCTER & GAMBLE COMPANY (US) | 2007-12-27 | — | — | US | claimed |
| US-7304065-B2 | Melanin concentrating hormone antagonists | THE PROCTER & GAMBLE COMPANY (US) | 2007-12-04 | — | — | US | claimed |
| JP-2007506696-A | — | — | 2007-03-22 | — | — | JP | claimed |
| US-20070060582-A1 | 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases | FINK CYNTHIA A | 2007-03-15 | — | — | US | claimed |
| WO-2007021794-A1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2007-02-22 | — | — | WO | claimed |
| US-20070037853-A1 | N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition | NOVARTIS VACCINES AND DIAGNOSTICS INC. | 2007-02-15 | — | — | US | claimed |
| WO-2006123165-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-11-23 | — | — | WO | claimed |
| US-20060247239-A1 | Melanin concentrating hormone antagonists | HU XIUFENG E | 2006-11-02 | — | — | US | claimed |
| EP-1667980-A1 | 1,4-DISUBSTITUTED ISOQUINOLINE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis AG (CH) | 2006-06-14 | — | — | EP | claimed |
| WO-2005028444-A1 | 1,4-DISUBSTITUTED ISOQUINILONE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2005-03-31 | — | — | WO | claimed |