⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7214849 | 0.76 | HTR2A (0.40) | — | |
| SCHEMBL30790640 | 0.74 | HTR6 (0.33) | — | |
| SCHEMBL964878 | 0.70 | PDPK1 (0.36) | — | |
| SCHEMBL16397817 | 0.66 | DPP4 (0.32) | — | |
| SCHEMBL290887 | 0.66 | HTR2A (0.39) | — | |
| SCHEMBL2527445 | 0.64 | — | — | |
| SCHEMBL10475434 | 0.64 | HTR2C (0.42) | — | |
| SCHEMBL21158160 | 0.63 | HTR2A (0.39) | — | |
| Acetonitrile SCHEMBL28222988 | 0.62 | CYP2D6 (0.31) | — | |
| SCHEMBL6627567 | 0.62 | DPP4 (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10328074-B2 | Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-06-25 | — | — | US | disclosed |
| US-9428513-B2 | Triazolopyrazine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-08-30 | — | — | US | disclosed |
| US-20160129001-A1 | SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2016-05-12 | — | — | US | disclosed |
| US-20150133447-A1 | Triazolopyrazine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-05-14 | — | — | US | disclosed |
| US-8710055-B2 | Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-29 | — | — | US | disclosed |
| US-20120094976-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| WO-2011144622-A1 | 1H - IMIDAZO [4, 5 - C] QUINOLINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-24 | — | — | WO | disclosed |
| WO-2011131741-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011117381-A1 | B-RAF KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |
| WO-2011117382-A1 | PYRIDYLTRIAZOLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-29 | — | — | WO | disclosed |