⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22393966 | 0.82 | — | — | |
| SCHEMBL14951234 | 0.80 | HTR3A (0.30) | — | |
| SCHEMBL16787387 | 0.80 | HTR3A (0.30) | — | |
| SCHEMBL16787382 | 0.80 | HTR3A (0.30) | — | |
| SCHEMBL13221877 | 0.79 | — | — | |
| SCHEMBL15800295 | 0.78 | PDK1 (0.34) | — | |
| SCHEMBL21432105 | 0.78 | PDK1 (0.34) | — | |
| SCHEMBL20636547 | 0.77 | — | — | |
| SCHEMBL7350450 | 0.75 | — | — | |
| SCHEMBL18800971 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100210639-A1 | 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H 1,3,6,9 TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2010-08-19 | — | — | US | disclosed |
| WO-2009004329-A1 | 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H-1,3,6,9-TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-01-08 | — | — | WO | disclosed |
| WO-2008075007-A1 | MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |