⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19114056 | 0.83 | NPC1 (0.33) | — | |
| SCHEMBL16608476 | 0.80 | DGAT1 (0.38) | — | |
| SCHEMBL19369013 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL20940174 | 0.75 | — | — | |
| SCHEMBL19629558 | 0.73 | — | — | |
| SCHEMBL19629486 | 0.72 | — | — | |
| SCHEMBL20193220 | 0.71 | CHUK (0.32) | — | |
| SCHEMBL19225915 | 0.71 | — | — | |
| SCHEMBL19629509 | 0.70 | MAP3K14 (0.35) | — | |
| SCHEMBL21089928 | 0.70 | — | — |
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 3 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-9981962-B2 | Pyrazole 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 |