⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2766452 | 0.80 | PGR (0.31) | — | |
| SCHEMBL2766974 | 0.80 | JAK2 (0.34) | — | |
| SCHEMBL2766968 | 0.80 | JAK2 (0.34) | — | |
| SCHEMBL3030775 | 0.79 | JAK2 (0.31) | — | |
| SCHEMBL2768345 | 0.73 | CSF1R (0.38) | — | |
| SCHEMBL2768420 | 0.65 | — | — | |
| SCHEMBL12342147 | 0.64 | MAPK14 (0.31) | — | |
| SCHEMBL2767778 | 0.63 | MEN1 (0.33) | — | |
| SCHEMBL2768740 | 0.62 | NLRP3 (0.30) | — | |
| SCHEMBL2769844 | 0.62 | NLRP3 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268855-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100210629-A1 | 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-19 | — | — | US | disclosed |
| US-7737279-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-15 | — | — | US | disclosed |
| EP-1888584-B1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2010-04-21 | — | — | EP | disclosed |
| US-20060270654-A1 | 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2006-11-30 | — | — | US | disclosed |