⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1329682 | 1.00 | — | — | |
| SCHEMBL21065774 | 0.97 | — | — | |
| SCHEMBL235759 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL317785 | 0.78 | KDM4E (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL9748105 | 0.74 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL10694337 | 0.74 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL10694332 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL16594875 | 0.72 | — | — | |
| SCHEMBL16489723 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL698664 | 0.69 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101203494-A | Process for the synthesis of substituted 3-cyanoquinolines and intermediates thereof | WYETH CORP (US) | 2008-06-18 | — | — | CN | claimed |
| EP-1883631-A1 | METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF | Wyeth (US) | 2008-02-06 | — | — | EP | claimed |
| WO-2006127207-A1 | METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF | WYETH (US) | 2006-11-30 | — | — | WO | claimed |
| US-20060270668-A1 | Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof | WYETH (US) | 2006-11-30 | — | — | US | claimed |
| CN-113105475-B | Inhibitors of bruton's tyrosine kinase and methods of use thereof | 詹森药业有限公司 | 2022-09-09 | — | — | CN | disclosed |
| US-RE41253-E1 | Antineoplastic combinations | WYETH (US) | 2010-04-20 | — | — | US | disclosed |
| US-RE41084-E1 | Antineoplastic combinations | WYETH (US) | 2010-01-19 | — | — | US | disclosed |
| WO-2009007390-A2 | 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |
| US-RE40418-E1 | Treatment of neoplasms with CCI-779/EKB-569 combination | WYETH (US) | 2008-07-01 | — | — | US | disclosed |
| CN-101203494-A | Process for the synthesis of substituted 3-cyanoquinolines and intermediates thereof | WYETH CORP (US) | 2008-06-18 | — | — | CN | disclosed |
| EP-1883631-A1 | METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF | Wyeth (US) | 2008-02-06 | — | — | EP | disclosed |
| WO-2006127207-A1 | METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF | WYETH (US) | 2006-11-30 | — | — | WO | disclosed |
| US-20060270668-A1 | Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof | WYETH (US) | 2006-11-30 | — | — | US | disclosed |
| EP-1671943-A1 | Preparation of EKB-569 and related intermediates | Wyeth (US) | 2006-06-21 | — | — | EP | disclosed |
| EP-1414438-B1 | ANTINEOPLASTIC COMBINATIONS | WYETH CORP (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1414438-A1 | ANTINEOPLASTIC COMBINATIONS | Wyeth (US) | 2004-05-06 | — | — | EP | disclosed |
| US-6617333-B2 | Rapamycin 42-ester with 3-hydroxy-2-(hydroxymethyl)-2-methyl propionic acid (CCI-779) and 4-dimethylamino-but-2-enoic acid(4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-ethoxy-quinol in-6-yl)amide (EKB-569); synergistic; antitumor agents | WYETH | 2003-09-09 | — | — | US | disclosed |
| WO-2003020266-A1 | ANTINEOPLASTIC COMBINATIONS | WYETH (US) | 2003-03-13 | — | — | WO | disclosed |
| US-20030050222-A1 | Antineoplastic combinations | WYETH | 2003-03-13 | — | — | US | disclosed |
| EP-0216299-A1 | Quinoxaline derivatives, method for their preparartion and their use to protect cultivated plants against phytotoxical reaction of herbicides | BASF Aktiengesellschaft (DE) | 1987-04-01 | — | — | EP | disclosed |