SCHEMBL100531

SCHEMBL100531

N#CC#CC1CCCC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL15901159 0.74
SCHEMBL15900980 0.71
SCHEMBL2106124 0.70 KCNH2 (0.39)
SCHEMBL56954 0.67
SCHEMBL15354896 0.67 KCNH2 (0.31)
SCHEMBL28037497 0.67 CES2 (0.30)
SCHEMBL5360866 0.66
SCHEMBL19592028 0.65 ADH1A (0.31)
SCHEMBL19997087 0.65 ADH1A (0.31)
SCHEMBL7082443 0.65 EPHX1 (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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101671270-B Method for synthesizing cyanoacetylene derivatives HANGZHOU ALLSINO CHEMICALS CO LTD 2013-07-31 CN claimed
US-20250340559-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2025-11-06 US disclosed
US-12247030-B2 Process for preparing compositions comprising an enantiomeric excess of a substituted pyrrolo[2,3-d]pyrimidine INCYTE HOLDINGS CORPORATION (US) 2025-03-11 US disclosed
EP-4501410-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Holdings Corporation (US) 2025-02-05 EP disclosed
CN-119306753-A Methods for preparing JAK inhibitors and related intermediate compounds 因西特控股公司 2025-01-14 CN disclosed
EP-3272738-B1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2024-11-13 EP disclosed
CN-108395433-B Methods for preparing JAK inhibitors and related intermediate compounds 因西特控股公司 2024-10-22 CN disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-20230322787-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED JAK INHIBITORS SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-10-12 US disclosed
US-20230322787-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED JAK INHIBITORS SUN PHARMACEUTICAL INDUSTRIES, INC. 2023-10-12 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
WO-2010083283-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2010-07-22 WO disclosed
WO-2010083283-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2010-07-22 WO disclosed
CN-101671270-A Method for synthesizing cyanoacetylene derivatives HANGZHOU ALLSINO CHEMICALS CO 2010-03-17 CN disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed