⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24672101 | 0.81 | LRRK2 (0.46) | — | |
| SCHEMBL24485904 | 0.70 | CCNK (0.42) | — | |
| SCHEMBL24672118 | 0.69 | ROCK1 (0.56) | — | |
| SCHEMBL20758357 | 0.69 | ROCK1 (0.51) | — | |
| SCHEMBL24672417 | 0.67 | ROCK2 (0.57) | — | |
| SCHEMBL24673115 | 0.66 | ROCK1 (0.59) | — | |
| SCHEMBL24672931 | 0.66 | ROCK1 (0.61) | — | |
| SCHEMBL24672095 | 0.66 | CDC42BPB (0.62) | — | |
| SCHEMBL20757850 | 0.66 | CDC42BPB (0.63) | — | |
| SCHEMBL26349932 | 0.64 | AURKA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019034890-A1 | PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2019-02-21 | — | — | WO | disclosed |