⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14917675 | 0.80 | MKNK1 (0.42) | — | |
| SCHEMBL24374901 | 0.78 | BTK (0.40) | — | |
| SCHEMBL14926130 | 0.76 | BTK (0.38) | — | |
| SCHEMBL255387 | 0.76 | MKNK2 (0.47) | — | |
| SCHEMBL14933856 | 0.75 | BTK (0.35) | — | |
| SCHEMBL14917627 | 0.74 | BTK (0.39) | — | |
| SCHEMBL24374921 | 0.74 | BTK (0.40) | — | |
| SCHEMBL26222740 | 0.74 | BTK (0.33) | — | |
| SCHEMBL14929684 | 0.73 | MAP2K1 (0.31) | — | |
| SCHEMBL14915287 | 0.73 | LYN (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180071286-A1 | HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS | GENENTECH, INC. (US) | 2018-03-15 | — | — | US | disclosed |
| US-20180071286-A1 | HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS | GENENTECH, INC. (US) | 2018-03-15 | — | — | US | disclosed |