⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10211541 | 0.86 | DPP4 (0.38) | — | |
| SCHEMBL10211505 | 0.78 | DPP4 (0.35) | — | |
| SCHEMBL10211522 | 0.77 | MGMT (0.38) | — | |
| SCHEMBL14049756 | 0.77 | DAO (0.31) | — | |
| SCHEMBL20937835 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL1755694 | 0.75 | DAO (0.44) | — | |
| SCHEMBL18893505 | 0.70 | — | — | |
| SCHEMBL11922137 | 0.70 | GABRA1 (0.30) | — | |
| SCHEMBL10211574 | 0.70 | GABRA1 (0.34) | — | |
| SCHEMBL16017561 | 0.70 | HTR1D (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8372875-B2 | Indole carboxamides as IKK2 inhibitors | GlaxoSmithKline, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| US-8372875-B2 | Indole carboxamides as IKK2 inhibitors | GlaxoSmithKline, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| US-20120040958-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2012-02-16 | — | — | US | disclosed |
| US-20120040958-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2012-02-16 | — | — | US | disclosed |
| US-8071584-B2 | Indole carboxamides as IKK2 inhibitors | GLAXOSMITHKLINE LLC (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071584-B2 | Indole carboxamides as IKK2 inhibitors | GLAXOSMITHKLINE LLC (US) | 2011-12-06 | — | — | US | disclosed |
| US-20100130468-A1 | INDOLE CARBOXAMIDES AS IKK2 INHIBITORS | GLAXOSMITHKLINE LLC | 2010-05-27 | — | — | US | disclosed |