SCHEMBL2115555

SCHEMBL2115555

CCSc1ncnc2nc[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.71
HSD17B10 Q99714 2/20 0.66
TP53 P04637 1/20 0.66
TSHR P16473 1/20 0.65
G6PD P11413 1/20 0.65
CDC7 O00311 8/20 0.60
DBF4 Q9UBU7 8/20 0.60
MAPT P10636 1/20 0.60
LMNA P02545 4/20 0.59
HTT P42858 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HIF1A Q16665 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX15 P16050 1/20 0.56

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
SCHEMBL31439407 1.00 PAK1 (0.71) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL9443835 0.88 PAK1 (0.89) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL2118558 0.86 PAK1 (0.82) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL1725584 0.83 PAK1 (1.00) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL10927540 0.82 PAK1 (0.97) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL9465617 0.82 PAK1 (0.97) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL8642694 0.82 PAK1 (0.97) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL30132912 0.79 HSD17B10 (1.00) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL240980 0.79 HSD17B10 (1.00) PAK1HSD17B10TP53TSHRG6PD
SCHEMBL31606731 0.79 G6PD (1.00) PAK1HSD17B10TP53TSHRG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711009-A1 Compounds for use in treating or preventing primary and metastatic breast and prostate cancer Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2014-03-26 EP claimed
EP-2711007-A1 4-Aminopyrazolo[3,4-d]pyrimidine for use in treating or preventing primary and metastatic breast and prostate cancer Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2014-03-26 EP claimed
EP-2711008-A1 N6,N6-dimethyladenosine for use in treating or preventing primary and metastatic breast cancer Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2014-03-26 EP claimed
CN-118772218-A Preparation method of alkyl thioether purine/alkyl thioether purine nucleoside 东南大学 2024-10-15 CN disclosed
US-12054768-B2 Methods for detecting agglutination and compositions for use in practicing the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-08-06 US disclosed
EP-4123031-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME The Regents of The University of California (US) 2023-01-25 EP disclosed
EP-3283638-B1 METHODS FOR DETECTING AGGLUTINATION AND USE OF KITS IN PRACTICING THE SAME UNIV CALIFORNIA (US) 2022-06-08 EP disclosed
US-20210403978-A1 METHODS FOR DETECTING AGGLUTINATION AND COMPOSITIONS FOR USE IN PRACTICING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-30 US disclosed
US-11149296-B2 Methods for detecting agglutination and compositions for use in practicing the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 US disclosed
US-20200232005-A1 Methods of Producing and Using Single-Stranded Deoxyribonucleic Acids and Compositions for Use in Practicing the Same TAKARA BIO USA, INC. 2020-07-23 US disclosed
US-10584363-B2 Methods of producing and using single-stranded deoxyribonucleic acids and compositions for use in practicing the same TAKARA BIO USA, INC. (US) 2020-03-10 US disclosed
EP-0586523-A4 DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF UNIV YALE (US) 1995-11-29 EP disclosed
EP-0286425-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 EP disclosed
EP-0586523-A1 DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF YALE UNIVERSITY (US) 1994-03-16 EP disclosed
US-5213972-A Production of thymidine and deoxyuridine, intermediates for AZT CHEMGEN CORPORATION (US) 1993-05-25 US disclosed
US-5185437-A 6-substituted 2',3'-dideoxypurine nucleosides; treatment for human immunodeficiency virus and heptatis b virus BURROUGHS WELLCOME CO. (US) 1993-02-09 US disclosed
WO-1992020816-A1 DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF YALE UNIVERSITY (US) 1992-11-26 WO disclosed
US-5068320-A 2-amino-6-(cyclopropylamino)purine-9-β-D-2',3'-dideoxyribofuranoside and its pharmaceutically acceptable salts BURROUGHS WELLCOME CO. (US) 1991-11-26 US disclosed
EP-0421819-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed
EP-0286425-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-12 EP disclosed