⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1830625 | 0.78 | — | — | |
| SCHEMBL138054 | 0.78 | — | — | |
| SCHEMBL376275 | 0.72 | — | — | |
| SCHEMBL30172433 | 0.72 | — | — | |
| Iodobenzene SCHEMBL20985741 | 0.70 | CDK2 (0.50) | — | |
| SCHEMBL1475109 | 0.67 | — | — | |
| SCHEMBL8447798 | 0.67 | — | — | |
| SCHEMBL31402416 | 0.67 | — | — | |
| SCHEMBL7045362 | 0.67 | — | — | |
| SCHEMBL6854526 | 0.67 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3150609-A1 | PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES | Intellikine, LLC (US) | 2017-04-05 | — | — | EP | disclosed |
| EP-2734520-B1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC (US) | 2016-09-14 | — | — | EP | disclosed |
| EP-2571357-B1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS INC (US) | 2016-07-06 | — | — | EP | disclosed |
| WO-2015168079-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS PI3K INHIBITORS | INFINITY PHARMACEUTICALS, INC. (US) | 2015-11-05 | — | — | WO | disclosed |
| CN-104341386-A | Aryl heterocycle micromolecule compounds, derivatives thereof, and preparing methods and uses of the compounds and the derivatives | SHANGHAI INST MATERIA MEDICA | 2015-02-11 | — | — | CN | disclosed |
| WO-2014071109-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2014-05-08 | — | — | WO | disclosed |
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2013032591-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2013012915-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC. (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2013012918-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC. (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2012078777-A1 | BICYCLIC COMPOUNDS AS PIM INHIBITORS | AMGEN INC. (US) | 2012-06-14 | — | — | WO | disclosed |
| WO-2011146882-A1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INTELLIKINE, INC. (US) | 2011-11-24 | — | — | WO | disclosed |
| WO-2010147226-A1 | PYRAZINOOXAZEPINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010016005-A1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009046448-A1 | CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF | INTELLIKINE, INC. (US) | 2009-04-09 | — | — | WO | disclosed |
| US-4975112-A | STEREOISOMERS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1990-12-04 | — | — | US | disclosed |
| EP-0296722-A1 | Pyrazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-28 | — | — | EP | disclosed |