SCHEMBL125487

SCHEMBL125487

COC(=O)C#CC1CC1

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
SCHEMBL3001721 0.91 NPSR1 (0.33)
SCHEMBL14336987 0.89 NPSR1 (0.36)
SCHEMBL3346050 0.86 GABRP (0.30)
SCHEMBL31554018 0.80
SCHEMBL24238701 0.78 SLC6A1 (0.32)
SCHEMBL18485605 0.76
SCHEMBL18485602 0.74
SCHEMBL25706 0.73 ALDH1A1 (0.44)
SCHEMBL4486152 0.72
SCHEMBL1516124 0.71 BRD4 (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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
US-10174021-B2 Substituted pyrazolo[1,5-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
EP-2980089-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-12-20 EP disclosed
US-20170313700-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES AND IMIDAZO[1,2-A]PYRAZINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-02 US disclosed
US-20170174682-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 US disclosed
US-9637483-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-02 US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CHEN ZHIDONG 2008-12-18 US disclosed
US-20080312185-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES CHEN ZHIDONG 2008-12-18 US disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
US-20060270671-A1 Substituted 3-amino-thieno[2,3-b] pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7119102-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1692141-A1 SUBSTITUTED 3-AMINO-THIENO¬2,3-B| PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
US-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
WO-2005056562-A1 SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 WO disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 US disclosed