⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31614849 | 0.75 | CYP11B1 (0.32) | — | |
| SCHEMBL19651754 | 0.73 | PLA2G7 (0.33) | — | |
| SCHEMBL11144847 | 0.72 | NOS3 (0.31) | — | |
| SCHEMBL11547057 | 0.72 | — | — | |
| SCHEMBL21424512 | 0.72 | CYP11B1 (0.40) | — | |
| SCHEMBL1145473 | 0.72 | — | — | |
| SCHEMBL25328621 | 0.70 | KDM4E (0.35) | — | |
| SCHEMBL3713705 | 0.70 | HTT (0.38) | — | |
| SCHEMBL27314230 | 0.70 | POLB (0.40) | — | |
| SCHEMBL19841610 | 0.70 | CYP11B1 (0.47) | — |
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-7888374-B2 | Inhibitors of c-jun N-terminal kinases | ABBOTT LABORATORIES (US) | 2011-02-15 | — | — | US | disclosed |
| WO-2006083673-A2 | PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES | ABBOTT LABORATORIES (US) | 2006-08-10 | — | — | WO | disclosed |
| US-20060173050-A1 | Inhibitors of c-Jun N-terminal kinases | ABBVIE INC. | 2006-08-03 | — | — | US | disclosed |
| US-20050171132-A1 | Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists | XIN ZHILI (US) | 2005-08-04 | — | — | US | disclosed |
| US-20050171131-A1 | Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists | KOSOGOF CHRISTI (US) | 2005-08-04 | — | — | US | disclosed |
| WO-2005030734-A1 | DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS | ABBOTT LABORATORIES (US) | 2005-04-07 | — | — | WO | disclosed |
| US-20050070712-A1 | Pyrimidine derivatives as ghrelin receptor modulators | ABBOTT LABORATORIES | 2005-03-31 | — | — | US | disclosed |