⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL256680 | 0.73 | — | — | |
| SCHEMBL24514911 | 0.73 | — | — | |
| SCHEMBL9946497 | 0.71 | — | — | |
| SCHEMBL256684 | 0.71 | — | — | |
| SCHEMBL14079627 | 0.70 | — | — | |
| SCHEMBL10271243 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL12327546 | 0.68 | NR3C2 (0.36) | — | |
| SCHEMBL19198611 | 0.68 | GRM2 (0.32) | — | |
| SCHEMBL14385410 | 0.67 | L3MBTL1 (0.38) | — | |
| SCHEMBL24768136 | 0.67 | L3MBTL1 (0.32) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026101-A | fused pyrimidine compound or salt thereof | 大鹏药品工业株式会社 | 2018-05-11 | — | — | CN | disclosed |
| US-20170066792-A1 | TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY | 2017-03-09 | — | — | US | disclosed |
| US-20160060262-A1 | Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof | GENENTECH, INC. (US) | 2016-03-03 | — | — | US | disclosed |
| US-9206175-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140088076-A1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-8623889-B2 | Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof | GENENTECH, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| CN-102066384-A | Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL MYERS SQUIBB CO | 2011-05-18 | — | — | CN | disclosed |
| US-7579349-B2 | 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer | ASTRAZENECA AB (SE) | 2009-08-25 | — | — | US | disclosed |
| EP-1678169-B1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-07-22 | — | — | EP | disclosed |
| US-20070037888-A1 | anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | US | disclosed |
| CN-1894243-A | 4- (pyrazol-3-ylamino) pyrimidine derivatives for the treatment of cancer | ASTRAZENECA AB (SE) | 2007-01-10 | — | — | CN | disclosed |
| EP-1678169-A1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040159-A1 | 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |