⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7911659 | 1.00 | — | — | |
| SCHEMBL20692849 | 1.00 | — | — | |
| SCHEMBL12628868 | 1.00 | — | — | |
| SCHEMBL20692777 | 1.00 | — | — | |
| SCHEMBL25125320 | 0.86 | MAPK1 (0.30) | — | |
| SCHEMBL358782 | 0.78 | — | — | |
| SCHEMBL8079507 | 0.78 | — | — | |
| SCHEMBL12628892 | 0.78 | — | — | |
| SCHEMBL25455938 | 0.78 | — | — | |
| SCHEMBL12628877 | 0.78 | — | — |
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-8455648-B2 | 1-(7-(hexahydropyrrolo [3,4-c] pyrrol-2 (1H)-yl) quinolin-4-yl) -3- (pyrazin-2-yl) urea derivatives and related compounds as glycogen synthase kinase 3 (GSK-3) | ABBOTT GMBH & CO. KG (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8455648-B2 | 1-(7-(hexahydropyrrolo [3,4-c] pyrrol-2 (1H)-yl) quinolin-4-yl) -3- (pyrazin-2-yl) urea derivatives and related compounds as glycogen synthase kinase 3 (GSK-3) | ABBOTT GMBH & CO. KG (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8318793-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | ABBOTT GMBH & CO. KG (DE) | 2012-11-27 | — | — | US | disclosed |
| US-20110105528-A1 | 1-(7-(HEXAHYDROPYRROLO [3, 4-C] PYRROL-2 (1H)-YL) QUINOLIN-4-YL) -3- (PYRAZIN-2-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) | ABBOTT GMBH & CO. KG (DE) | 2011-05-05 | — | — | US | disclosed |
| US-20110003810-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2011-01-06 | — | — | US | disclosed |