SCHEMBL289531

SCHEMBL289531

Cc1[c]ccc(C#N)c1

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
SCHEMBL407722 0.79 TSHR (0.35)
SCHEMBL455667 0.77
SCHEMBL184366 0.73
SCHEMBL351688 0.73
SCHEMBL28407972 0.73
SCHEMBL407833 0.73
SCHEMBL9659680 0.73
SCHEMBL1357341 0.73
SCHEMBL767603 0.73
SCHEMBL7194431 0.72 ALDH1A1 (0.47)

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 341 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265702-A Microbiocidal isonicotinamide derivatives 先正达农作物保护股份公司 2024-06-28 CN claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
EP-3856348-B1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 AND/OR FGFR MODULATORS INCYTE CORP (US) 2024-01-03 EP claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP claimed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN claimed
WO-2023089049-A2 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-05-25 WO claimed
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-01-20 US claimed
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-09-07 US claimed
EP-3856348-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS Incyte Corporation (US) 2021-08-04 EP claimed
US-20040171607-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-09-02 US claimed
CN-1525972-A Hetero-bicyclic crf antagonists 2004-09-01 CN claimed
EP-1425281-A1 CHEMICAL COMPOUNDS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2004-06-09 EP claimed
EP-1425280-A2 HETERO-BICYCLIC CRF ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-06-09 EP claimed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US claimed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO claimed
WO-2003008412-A2 HETERO-BICYCLIC CRF ANTAGONISTS GLAXO GROUP LIMITED (GB) 2003-01-30 WO claimed
WO-2003008414-A1 CHEMICAL COMPOUNDS SB PHARMCO PUERTO RICO INC. (PR) 2003-01-30 WO claimed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed