⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24828273 | 0.69 | — | — | |
| SCHEMBL19966633 | 0.66 | — | — | |
| SCHEMBL24453174 | 0.66 | — | — | |
| SCHEMBL18671460 | 0.65 | ADORA1 (0.31) | — | |
| SCHEMBL25109467 | 0.65 | — | — | |
| SCHEMBL21608372 | 0.65 | MAPK1 (0.39) | — | |
| SCHEMBL21939357 | 0.65 | KMT2A (0.33) | — | |
| SCHEMBL19960802 | 0.64 | PTGER4 (0.32) | — | |
| SCHEMBL23869500 | 0.64 | — | — | |
| SCHEMBL21227863 | 0.64 | KDM4E (0.40) | — |
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-9981963-B2 | 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-29 | — | — | US | disclosed |
| US-20170334900-A1 | NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS | ARGENTA DISCOVERY 2009 LIMITED (GB) | 2017-11-23 | — | — | US | disclosed |