⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13303340 | 0.75 | — | — | |
| SCHEMBL15024808 | 0.71 | — | — | |
| SCHEMBL17524423 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL14514294 | 0.63 | — | — | |
| SCHEMBL14514298 | 0.63 | MALT1 (0.33) | — | |
| SCHEMBL18328278 | 0.59 | — | — | |
| SCHEMBL22035393 | 0.58 | — | — | |
| SCHEMBL1127854 | 0.58 | — | — | |
| SCHEMBL18567094 | 0.55 | — | — | |
| SCHEMBL14555166 | 0.55 | — | — |
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-20170312278-A1 | METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES | SIGNAL PHARM LLC (US) | 2017-11-02 | — | — | US | disclosed |
| US-20110104256-A1 | METHODS FOR TREATING OR PREVENTING COLORECTAL CANCER | MERCK SHARP & DOHME CORP. | 2011-05-05 | — | — | US | disclosed |
| US-20100143340-A1 | METHODS AND COMPOSITIONS FOR TREATING CANCER | SCHERING CORPORATION | 2010-06-10 | — | — | US | disclosed |