⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14375492 | 0.79 | ADORA2A (0.33) | — | |
| SCHEMBL23210403 | 0.76 | — | — | |
| SCHEMBL30508719 | 0.68 | CSNK2A1 (0.42) | — | |
| SCHEMBL25317543 | 0.68 | CSNK2A1 (0.42) | — | |
| SCHEMBL22061138 | 0.67 | — | — | |
| SCHEMBL23210486 | 0.67 | JAK2 (0.36) | — | |
| SCHEMBL17925641 | 0.67 | JAK2 (0.36) | — | |
| SCHEMBL13738737 | 0.67 | JAK2 (0.36) | — | |
| SCHEMBL18247281 | 0.64 | NOS1 (0.38) | — | |
| SCHEMBL31030400 | 0.64 | LMNA (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230054411-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2023-02-23 | — | — | US | disclosed |
| US-20220220117-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2022-07-14 | — | — | US | disclosed |
| US-20220220117-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2022-07-14 | — | — | US | disclosed |
| US-11312719-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2022-04-26 | — | — | US | disclosed |
| US-11312719-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2022-04-26 | — | — | US | disclosed |
| US-20210107904-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2021-04-15 | — | — | US | disclosed |
| US-20210107904-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2021-04-15 | — | — | US | disclosed |