SCHEMBL48540

SCHEMBL48540

CS(=O)(=O)NCCC#N

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
SCHEMBL7550764 0.84 NLRP3 (0.43)
SCHEMBL5725096 0.82 GRIA1 (0.43)
SCHEMBL6378311 0.77
SCHEMBL2127280 0.76
SCHEMBL2351188 0.75
SCHEMBL17424335 0.75
SCHEMBL24996954 0.75 GRIA1 (0.56)
SCHEMBL26867897 0.75 PDE4A (0.38)
SCHEMBL26867394 0.75 PDE4A (0.38)
SCHEMBL3043384 0.74 POLB (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022068848-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2022-04-07 WO disclosed
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 WO disclosed
US-8263585-B2 Organic compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263585-B2 Organic compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2173722-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
WO-2009013348-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2009-01-29 WO disclosed
US-7214694-B2 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors PFIZER INC (US) 2007-05-08 US disclosed
US-7214694-B2 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors PFIZER INC (US) 2007-05-08 US disclosed
EP-1343771-B1 3-OX(ADI)AZOLYLPROPANOHYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2006-04-12 EP disclosed
US-20040142986-A1 3-ox(adi)azolylpropanohydroxamic acids useful as procollagen C-proteinase inhibitors DATTA USA (GB) 2004-07-22 US disclosed
US-6716861-B2 HETEROCYCLIC 1,2,4-OXADIAZOLE OR OXAZOLE RING CONTAINING PROPANOHYDROXAMIC ACIDS USEFUL AS ANTISCARRING AGENT PFIZER, INC. 2004-04-06 US disclosed
EP-1343771-A1 3-OX(ADI)AZOLYLPROPANOHYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2003-09-17 EP disclosed
US-20020151535-A1 3-ox(adi) azolylpropanohydroxamic acids useful as procollagen C- Proteinase inhibitors PFIZER, INC 2002-10-17 US disclosed
WO-2002050046-A1 3-OX(ADI)AZOLYLPROPANOHYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-06-27 WO disclosed