⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22083448 | 0.79 | — | — | |
| SCHEMBL31673214 | 0.77 | — | — | |
| SCHEMBL11790513 | 0.69 | MAPK1 (0.46) | — | |
| SCHEMBL15661250 | 0.68 | CYP11B2 (0.39) | — | |
| SCHEMBL14844745 | 0.68 | — | — | |
| SCHEMBL26971089 | 0.67 | POLB (0.36) | — | |
| SCHEMBL12497715 | 0.65 | BRD4 (0.46) | — | |
| SCHEMBL11535069 | 0.65 | NPC1 (0.36) | — | |
| SCHEMBL21414701 | 0.64 | KAT2B (0.46) | — | |
| SCHEMBL22911115 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8273741-B2 | Imidazo-pyridazinyl compounds and uses thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| US-8044049-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-25 | — | — | US | disclosed |
| US-8034812-B2 | Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-11 | — | — | US | disclosed |
| US-20100273788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-28 | — | — | US | disclosed |
| US-20100168424-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-01 | — | — | US | disclosed |
| US-20090306374-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20090137595-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |