⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15970035 | 0.89 | CHUK (0.34) | — | |
| SCHEMBL99248 | 0.86 | JAK2 (0.35) | — | |
| SCHEMBL101161 | 0.86 | GRM4 (0.34) | — | |
| SCHEMBL101210 | 0.86 | JAK2 (0.33) | — | |
| SCHEMBL2148207 | 0.82 | DGAT1 (0.30) | — | |
| SCHEMBL100496 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL15970036 | 0.82 | CHUK (0.31) | — | |
| SCHEMBL98937 | 0.81 | AURKA (0.41) | — | |
| SCHEMBL30636557 | 0.81 | AURKA (0.41) | — | |
| SCHEMBL12262943 | 0.80 | JAK2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8415362-B2 | Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE CORPORATION (US) | 2013-04-09 | — | — | US | disclosed |
| US-20090181959-A1 | HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-07-16 | — | — | US | disclosed |