SCHEMBL2115552

SCHEMBL2115552

CCSc1ncnc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 2/20 0.36
TSHR P16473 2/20 0.36
G6PD P11413 1/20 0.34
MAPT P10636 1/20 0.33
CDC7 O00311 4/20 0.33
DBF4 Q9UBU7 4/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL2118555 0.86 PAK1 (0.48) PAK1ALDH1A1HPGDTP53HSD17B10
SCHEMBL1725582 0.82 PAK1 (0.62) PAK1ALDH1A1HPGDTP53HSD17B10
SCHEMBL10927535 0.81 PAK1 (0.61) PAK1ALDH1A1HPGDMAPTHTT
SCHEMBL8826229 0.81 PAK1 (0.61) PAK1ALDH1A1HPGDMAPTHTT
SCHEMBL10925300 0.81 PAK1 (0.61) PAK1ALDH1A1HPGDMAPTHTT
SCHEMBL240979 0.79 TP53 (0.52) PAK1ALDH1A1TP53HSD17B10NOTUM
SCHEMBL11476556 0.79 PAK1 (0.38) PAK1ALDH1A1TSHRCDC7DBF4
SCHEMBL2888984 0.79 G6PD (0.48) PAK1ALDH1A1HPGDTP53HSD17B10
SCHEMBL10426488 0.78 SMN1; SMN2 (0.41) PAK1ALDH1A1TP53HSD17B10NOTUM
SCHEMBL29951296 0.78 NOTUM (0.36) PAK1ALDH1A1HPGDTP53HSD17B10

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 19 patents. 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-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
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
CN-118772218-A Preparation method of alkyl thioether purine/alkyl thioether purine nucleoside 东南大学 2024-10-15 CN disclosed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
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 disclosed
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 disclosed
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 disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP disclosed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO disclosed
US-7312022-B2 Developing solution contains a heterocyclic compound having three or more heteroatoms which when added, capable of enhancing the sensitivity of the silver halide color photosensitive material; high sensitivity, excellent color image storability FUJIFILM CORPORATION (JP) 2007-12-25 US disclosed
US-7312022-B2 Developing solution contains a heterocyclic compound having three or more heteroatoms which when added, capable of enhancing the sensitivity of the silver halide color photosensitive material; high sensitivity, excellent color image storability FUJIFILM CORPORATION (JP) 2007-12-25 US disclosed
EP-0286425-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 EP 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
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