⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13153503 | 0.74 | FAAH (0.35) | — | |
| SCHEMBL3565216 | 0.70 | RB1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL3570138 | 0.69 | RB1 (0.42) | — | |
| SCHEMBL23134641 | 0.65 | PNMT (0.35) | — | |
| SCHEMBL12641734 | 0.65 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29904871 | 0.64 | BPTF (0.37) | — | |
| SCHEMBL3963253 | 0.62 | ATM (0.44) | — | |
| SCHEMBL1106459 | 0.61 | PTGS2 (0.42) | — | |
| SCHEMBL18050113 | 0.61 | IRAK4 (0.42) | — | |
| SCHEMBL28541808 | 0.61 | MAPT (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |