SCHEMBL8069211

SCHEMBL8069211

[CH2]n1cnc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.60
ADORA1 P30542 8/20 0.60
PI4KA P42356 10/20 0.55
PI4K2B Q8TCG2 10/20 0.55
PI4K2A Q9BTU6 10/20 0.55
PI4KB Q9UBF8 10/20 0.55
ADORA2B P29275 4/20 0.55
EGFR P00533 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
GSK3B P49841 1/20 0.47

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
SCHEMBL580610 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.77 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8791184 0.75 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11908593 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1357265 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1370892 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9074153 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13007709 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2342091 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013754-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 EP claimed
WO-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 WO claimed
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 US claimed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP claimed
EP-4013754-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 EP disclosed
WO-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 WO disclosed
WO-2021026803-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-02-18 WO disclosed
CN-110438102-A A kind of methylation protection host strain and its construction method and application MONAD WUHAN BIOTECHNOLOGY CO LTD 2019-11-12 CN disclosed
CN-110093399-A A method of utilizing N6 generation methylation modifications of adenine in diphosphonic acid uracil deoxynucleotide detection nucleic acid 武汉大学 2019-08-06 CN disclosed
CN-104270946-B Use of anthranilic acid diamide derivatives for controlling pests in transgenic crops 拜耳农作物科学股份公司 2017-05-10 CN disclosed
EP-0574386-B1 NOVEL PROCESS FOR THE PREPARATION OF NUCLEOTIDES ACAD OF SCIENCE CZECH REPUBLIC (CZ) 2000-06-28 EP disclosed
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 US disclosed
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 US disclosed
EP-0733630-A4 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP disclosed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed
WO-1995015964-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU CO., LTD. (JP) 1995-06-15 WO disclosed