⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28490387 | 0.71 | EGLN2 (0.41) | — | |
| SCHEMBL5804004 | 0.71 | — | — | |
| SCHEMBL427678 | 0.65 | PDPK1 (0.41) | — | |
| SCHEMBL13881661 | 0.65 | HTR2A (0.49) | — | |
| SCHEMBL4720217 | 0.62 | BRD4 (0.32) | — | |
| SCHEMBL8477191 | 0.62 | — | — | |
| SCHEMBL424495 | 0.61 | SLC6A2 (0.45) | — | |
| SCHEMBL1883096 | 0.60 | PARP1 (0.44) | — | |
| SCHEMBL16937932 | 0.60 | HTR2A (0.49) | — | |
| SCHEMBL28979 | 0.60 | HTR2A (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007002325-A1 | PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2007-01-04 | — | — | WO | disclosed |