SCHEMBL2116843

SCHEMBL2116843

NNc1ncnc2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
HTT P42858 5/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 5/20 0.32
XDH P47989 2/20 0.32
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
DRD3 P35462 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PAK1 Q13153 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MKNK1 Q9BUB5 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL11591791 0.83 HTT (0.33) HTTCYP3A4LMNAXDHPI4KA
SCHEMBL9116343 0.81 HTT (0.32) HTTCYP3A4LMNAXDHPI4KA
SCHEMBL22892194 0.81 CSNK2A1 (0.33) PDPK1HTTCYP3A4LMNAXDH
SCHEMBL160073 0.81 CYP3A4 (0.35) HTTCYP3A4LMNAXDHPI4KA
SCHEMBL21913 0.81 YTHDC1 (0.47) PDPK1HTTCYP3A4LMNAXDH
SCHEMBL4242949 0.81 EGFR (0.33) HTTCYP3A4LMNAXDHPI4KA
SCHEMBL10918759 0.79 YTHDC1 (0.46) PDPK1HTTCYP3A4LMNAXDH
SCHEMBL6272986 0.79 YTHDC1 (0.46) PDPK1HTTCYP3A4LMNAXDH
SCHEMBL2938977 0.78 MKNK1 (0.32) HTTCYP3A4MKNK1
SCHEMBL405822 0.78 PDPK1 (0.34) PDPK1HTTCYP3A4LMNACYP1A2

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 73 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
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
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
CN-119285636-A Adenine-based iron ion chelating agent and synthesis and application thereof 桂林医学院 2025-01-10 CN disclosed
US-4831013-A BENZODIAZEPINE RECEPTOR ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1989-05-16 US disclosed
WO-1988002370-A1 2-SUBSTITUTED-E-FUSED-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINES PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CIBA-GEIGY AG (CH) 1988-04-07 WO 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