SCHEMBL1095418

SCHEMBL1095418

NNc1ncnc2nc[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
HIF1A Q16665 1/20 0.60
HTT P42858 5/20 0.57
CYP3A4 P08684 1/20 0.57
LMNA P02545 6/20 0.57
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
DRD3 P35462 1/20 0.57
XDH P47989 1/20 0.57
LRRK2 Q5S007 1/20 0.57
PAK1 Q13153 1/20 0.56
CDK2 P24941 2/20 0.55
MKNK1 Q9BUB5 2/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL11591794 0.82 HTT (0.59) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL29380490 0.80 HTT (0.62) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL30374699 0.80 MKNK1 (0.58) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL17901710 0.80 HTT (0.57) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL21914 0.80 HTT (0.62) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL160074 0.80 CYP3A4 (0.62) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL29420373 0.80 CYP3A4 (0.62) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL9116347 0.80 HTT (0.57) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL6243538 0.78 HTT (0.60) CYP1A2HIF1AHTTCYP3A4LMNA
SCHEMBL10918760 0.78 HTT (0.60) CYP1A2HIF1AHTTCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285636-A Adenine-based iron ion chelating agent and synthesis and application thereof 桂林医学院 2025-01-10 CN claimed
CN-117683071-A Method for synthesizing aequorin and analogue thereof by microwave-assisted silica gel supported copper sulfate catalysis 新乡学院 2024-03-12 CN claimed
CN-117430609-A Purine derivative compound, preparation method and application thereof 东北农业大学 2024-01-23 CN claimed
CN-115504978-B Method for synthesizing adenine derivative by taking 6-hydrazinopurine derivative as raw material 新乡学院 2023-08-25 CN claimed
CN-114773344-B Method for synthesizing 2/6-iodopurine derivative through visible light induced hydrazine removal-iodination reaction 新乡学院 2023-03-14 CN claimed
CN-115504978-A Method for synthesizing adenine derivative by using 6-hydrazinopurine derivative as raw material 新乡学院 2022-12-23 CN claimed
CN-114773344-A Method for synthesizing 2/6-iodopurine derivative by visible light induced hydrazine removal-iodination reaction 新乡学院 2022-07-22 CN claimed
CN-107884399-B Purine compound modified nanogold material and kit thereof 北京化工大学 2020-04-28 CN claimed
CN-107884399-A For detecting the purine compound modified nano gold material of red blood cell, preparation method and kit 北京化工大学 2018-04-06 CN claimed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US claimed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US claimed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US claimed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP claimed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO claimed
US-4101658-A Antibacterial hydrazono cephalosporins SHIONOGI & CO., LTD. (JP) 1978-07-18 US claimed
CN-121874799-A Synthesis method of [1,2,4] -triazolone fused purine nucleoside compound 河南师范大学 2026-04-17 CN disclosed
CN-118638119-B Pyrazole purine herbicide safener as well as preparation method and application thereof 东北农业大学 2025-02-28 CN disclosed
EP-0263071-A1 2-Substituted-e-fused-[1,2,4]-triazolo[1,5-c] pyrimidines, pharmaceutical compositions, and uses thereof CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
EP-0217748-A2 2-Substituted-e-fused-[1,2,4,]triazolo-[1,5-c]pyrimidines pharmaceutical compositions and uses thereof CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed
US-4101658-A Antibacterial hydrazono cephalosporins SHIONOGI & CO., LTD. (JP) 1978-07-18 US disclosed