⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28070201 | 0.82 | — | — | |
| SCHEMBL2139381 | 0.80 | — | — | |
| SCHEMBL7381748 | 0.70 | USP2 (0.35) | — | |
| Piperazine SCHEMBL28135603 | 0.65 | — | — | |
| SCHEMBL3176188 | 0.64 | — | — | |
| SCHEMBL355892 | 0.64 | — | — | |
| SCHEMBL11062500 | 0.64 | — | — | |
| SCHEMBL8671099 | 0.64 | — | — | |
| SCHEMBL28416504 | 0.63 | — | — | |
| SCHEMBL8801365 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140349998-A1 | PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS | MERCK SHARP & DOHME CORP. (US) | 2014-11-27 | — | — | US | claimed |
| US-8993756-B2 | Pyrrolopyrimidines as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-03-31 | — | — | US | disclosed |
| US-20140349998-A1 | PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS | MERCK SHARP & DOHME CORP. (US) | 2014-11-27 | — | — | US | disclosed |
| US-4716060-A | ACYCLIC OR HETEROCYCLIC TERTIARY AMIDE | RAJADHYAKSHA VITHAL J (US) | 1987-12-29 | — | — | US | disclosed |