⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3116054 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL26705 | 0.79 | — | — | |
| SCHEMBL7101115 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL9752701 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL3468962 | 0.77 | ALDH1A1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL1036558 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL2943903 | 0.77 | — | — | |
| SCHEMBL35506 | 0.77 | ALDH1A1 (0.44) | — | |
| Fluoride SCHEMBL21409814 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL19457855 | 0.77 | ALDH1A1 (0.44) | — |
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-11021470-B2 | 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof | ARAXES PHARMA LLC (US) | 2021-06-01 | — | — | US | disclosed |
| US-10858343-B2 | Inhibitors of KRAS G12C mutant proteins | ARAXES PHARMA LLC (US) | 2020-12-08 | — | — | US | disclosed |
| US-20200181123-A1 | 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2020-06-11 | — | — | US | disclosed |
| US-10370386-B2 | Substituted quinolines as inhibitors of KRAS G12C | ARAXES PHARMA LLC (US) | 2019-08-06 | — | — | US | disclosed |
| US-20180118757-A1 | SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC | 2018-05-03 | — | — | US | disclosed |
| US-20170022184-A1 | SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2017-01-26 | — | — | US | disclosed |