⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1055186 | 0.77 | — | — | |
| SCHEMBL3321844 | 0.74 | MEN1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL22468575 | 0.74 | MEN1 (0.48) | — | |
| SCHEMBL3321849 | 0.74 | MEN1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL25413104 | 0.72 | MEN1 (0.52) | — | |
| SCHEMBL14498527 | 0.72 | — | — | |
| SCHEMBL5311127 | 0.72 | MEN1 (0.46) | — | |
| SCHEMBL1374432 | 0.72 | — | — | |
| SCHEMBL4737559 | 0.72 | HSD17B10 (0.44) | — | |
| SCHEMBL19125455 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170210748-A1 | ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES | Convergence Pharmaceuticals Limited (GB) | 2017-07-27 | — | — | US | disclosed |
| US-9585886-B2 | ASK1 inhibiting pyrrolopyrimidine derivatives | CALCHAN LIMITED (GB) | 2017-03-07 | — | — | US | disclosed |
| EP-2651417-B1 | ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES | CALCHAN LTD (GB) | 2016-11-30 | — | — | EP | disclosed |
| US-20160067251-A1 | ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES | GALAPAGOS NV (BE) | 2016-03-10 | — | — | US | disclosed |
| US-9045485-B2 | ASK 1 inhibiting pyrrolopyrimidine derivatives | Convergence Pharmaceuticals Limited (GB) | 2015-06-02 | — | — | US | disclosed |
| US-20140038957-A1 | ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES | Convergence Pharmaceuticals Limited | 2014-02-06 | — | — | US | disclosed |
| EP-2651417-A1 | ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES | Convergence Pharmaceuticals Limited (GB) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080735-A1 | ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES | Convergence Pharmaceuticals Limited (GB) | 2012-06-21 | — | — | WO | disclosed |