⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30205931 | 1.00 | — | — | |
| SCHEMBL24944487 | 0.91 | MKNK1 (0.34) | — | |
| SCHEMBL29173462 | 0.85 | SYK (0.33) | — | |
| SCHEMBL30206133 | 0.85 | SYK (0.33) | — | |
| SCHEMBL29173378 | 0.83 | CYP1A2 (0.35) | — | |
| SCHEMBL30206107 | 0.83 | CYP1A2 (0.35) | — | |
| SCHEMBL30205990 | 0.83 | MLLT1 (0.31) | — | |
| SCHEMBL30206336 | 0.83 | SYK (0.36) | — | |
| SCHEMBL29173448 | 0.83 | SYK (0.36) | — | |
| SCHEMBL29173609 | 0.81 | IKBKB (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117693503-A | Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2024-03-12 | — | — | CN | disclosed |