⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4357785 | 0.83 | ALOX15 (0.34) | — | |
| SCHEMBL4357738 | 0.83 | TNK2 (0.31) | — | |
| SCHEMBL1129530 | 0.83 | MAPT (0.33) | — | |
| SCHEMBL4354030 | 0.82 | MAPK13 (0.33) | — | |
| SCHEMBL4357642 | 0.82 | TNK2 (0.32) | — | |
| SCHEMBL4356214 | 0.78 | KMT2A (0.31) | — | |
| SCHEMBL2462686 | 0.77 | — | — | |
| SCHEMBL4370268 | 0.75 | — | — | |
| SCHEMBL4361795 | 0.73 | — | — | |
| SCHEMBL1617026 | 0.72 | PIK3CD (0.34) | — |
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-8481733-B2 | Substituted imidazopyr- and imidazotri-azines | OSI Pharmaceuticals, LLC (US) | 2013-07-09 | — | — | US | disclosed |
| US-20090286768-A1 | SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES | OSI PHARMACEUTICALS, INC. (US) | 2009-11-19 | — | — | US | disclosed |