SCHEMBL3583796

SCHEMBL3583796

CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCc5c4ccnc5O)c3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.70
CDK1 P06493 17/20 0.70
CCNB1 P14635 15/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
KDR P35968 2/20 0.38
AURKB Q96GD4 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL3596172 0.90 AURKA (0.70) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3591999 0.89 CDK1 (0.67) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3583517 0.89 AURKA (0.70) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3591727 0.89 AURKA (0.70) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3596118 0.84 CDK1 (0.53) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1356175 0.82 AURKA (1.00) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3583423 0.82 AURKA (0.70) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3585958 0.80 AURKA (0.50) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3571589 0.79 AURKA (0.67) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL3591802 0.78 AURKA (0.68) AURKACDK1CCNB1CYP3A4CYP2C9

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

Appears in 4959 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108645905-B A method of hydrogen peroxide is detected based on solid nano hole 南通大学 2019-12-03 CN claimed
CN-110530839-A The preparation method and its repeatable immune detection application of base material is immunized in a kind of molybdenum disulfide/silver nanoparticle UNIV NINGBO 2019-12-03 CN claimed
CN-110514711-A The preparation method of renewable aptamer sensor based on automatically cleaning electrode interface UNIV SHANDONG TECHNOLOGY 2019-11-29 CN claimed
CN-110511386-A Double property macromolecules and its manufacturing method include the high molecular contact lens material of this double property and its manufacturing method UNIV NATIONAL CHIAO TUNG 2019-11-29 CN claimed
CN-110498886-A A kind of lubricating hydrogel material and its preparation method and application UNIV JILIN 2019-11-26 CN claimed
CN-110483662-A A kind of carboxymethyl chitosan cross-linked gel UNIV CHANGZHOU 2019-11-22 CN claimed
CN-110483804-A Modified biopolymer and its application in 3D printing SHENZHEN INST ADV TECH 2019-11-22 CN claimed
CN-110483845-A A kind of graphene oxide/chitosan oligosaccharide composite crosslinking gel UNIV CHANGZHOU 2019-11-22 CN claimed
CN-110470718-A It is a kind of for detecting the preparation method of the optical electro-chemistry immunosensor of cardiac muscle troponin I UNIV JINAN 2019-11-19 CN claimed
CN-110448735-A A kind of amphiphilic biology carbon complex and its preparation method and purposes with antibiosis anticoagulative ZHENGZHOU OUMUKANG BIOMATERIAL CO LTD 2019-11-15 CN claimed
CN-101011596-A Process for preparing antibiotic-peptide modified-fibroin film material UNIV ZHEJIANG SCIENCE & TECH (CN) 2007-08-08 CN claimed
CN-1943791-A Liver target high molecule magnetic resonance image-forming contrast medium and its synthesizing method and application UNIV HUADONG (CN) 2007-04-11 CN claimed
CN-1910143-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 CN claimed
CN-1910144-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 CN claimed
CN-1856486-A Substituted lactams and their use as anti-cancer agents NOVARTIS AG (CH) 2006-11-01 CN claimed
CN-1660884-A Anthraquinone ramification of rhubarb, preparing method and combination of medication by using the ramification as active ingredient MEDICAL COLLEGE OF PEOPLE S AR (CN) 2005-08-31 CN claimed
US-20050048551-A1 Analyte evaluating device, method for evaluating analyte and method for manufacturing analyte evaluating device FUJITSU LIMITED (JP) 2005-03-03 US claimed
CN-1271352-A Process for preparing 3-aryloxy, 4-arylfuran-2-ones useful as cyclooxygenase-2 inhibitors MERCK & CO INC (US) 2000-10-25 CN claimed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN claimed
CN-1035253-C Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1997-06-25 CN claimed