⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10060101 | 1.00 | — | — | |
| SCHEMBL730120 | 1.00 | — | — | |
| SCHEMBL12235435 | 0.86 | — | — | |
| SCHEMBL2917957 | 0.86 | — | — | |
| SCHEMBL12235361 | 0.86 | — | — | |
| SCHEMBL681424 | 0.85 | — | — | |
| SCHEMBL2916203 | 0.85 | KCNH2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30933654 | 0.83 | GNAO1 (0.50) | — | |
| SCHEMBL2265464 | 0.79 | — | — | |
| SCHEMBL5633484 | 0.78 | SLC6A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |
| WO-2018107112-A1 | QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2018-06-14 | — | — | WO | disclosed |
| US-9790221-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-10-17 | — | — | US | disclosed |
| US-20160145252-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | US | disclosed |
| US-20120077794-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXSMITHKLINE LLC (US) | 2012-03-29 | — | — | US | disclosed |
| WO-2010141538-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXOSMITHKLINE LLC (US) | 2010-12-09 | — | — | WO | disclosed |
| EP-1620437-B1 | 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION | PFIZER LTD (GB) | 2009-06-17 | — | — | EP | disclosed |
| US-20090093474-A1 | THIAZOLYL-DIHYDRO-INDAZOLE | GRAUERT MATTHIAS | 2009-04-09 | — | — | US | disclosed |
| US-20070238718-A1 | THIAZOLYL-DIHYDRO-INDAZOLE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-11 | — | — | US | disclosed |