SCHEMBL454216

SCHEMBL454216

Nc1ncnc2c1ncn2[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.54
ADORA2A P29274 3/20 0.54
SLC28A1 O00337 2/20 0.54
PI4KA P42356 2/20 0.54
PI4K2B Q8TCG2 2/20 0.54
PI4K2A Q9BTU6 2/20 0.54
PI4KB Q9UBF8 2/20 0.54
DPP4 P27487 1/20 0.54
MEN1 O00255 1/20 0.54
MAP3K7 O43318 1/20 0.54
SLC28A2 O43868 1/20 0.54
GAPDH P04406 1/20 0.54
MAPK1 P28482 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
STAT6 P42226 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DOT1L Q8TEK3 1/20 0.54
SLC29A1 Q99808 1/20 0.54

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
SCHEMBL27657118 1.00 ADORA3 (0.54) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL23042807 1.00 ADORA3 (0.54) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL27992710 1.00 ADORA3 (0.54) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL5024893 1.00 ADORA3 (0.54) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL1417403 1.00 ADORA3 (0.54) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL27489485 0.99 ADORA3 (0.53) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL31062627 0.86 ADORA3 (0.55) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL481525 0.86 ADORA3 (0.55) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL27541459 0.86 PI4KA (0.39) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
Homocysteine SCHEMBL28127837 0.86 FASN (0.51) KMT2ADOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP claimed
WO-2023057599-A1 METHODS INVOLVING BACTEROIDES STRAIN REPLACEMENT ELIGO BIOSCIENCE (FR) 2023-04-13 WO disclosed
WO-2023057598-A1 METHODS INVOLVING BACTERIAL STRAIN REPLACEMENT ELIGO BIOSCIENCE (FR) 2023-04-13 WO disclosed
WO-2021050564-A2 THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF LYME DISEASE AND LYME DISEASE-RELATED DISORDERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-03-18 WO disclosed
EP-3607084-A1 A METHOD FOR TESTING ANTIMICROBIAL SUSCEPTIBILITY The University Of Western Australia (AU) 2020-02-12 EP disclosed
CN-110407892-A A kind of preparation method of Vidarabine Monophosphate GANSU TAISHENG CHEMICAL TECH CO LTD 2019-11-05 CN disclosed
CN-106866763-B A kind of synthesis technology of Vidarabine Monophosphate 上海应用技术大学 2019-07-23 CN disclosed
WO-2018184073-A1 A METHOD FOR TESTING ANTIMICROBIAL SUSCEPTIBILITY THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2018-10-11 WO disclosed
WO-2015155738-A2 USE OF GSK-3 INHIBITORS OR ACTIVATORS WHICH MODULATE PD-1 OR T-BET EXPRESSION TO MODULATE T CELL IMMUNITY RUDD CHRISTOPHER (US) 2015-10-15 WO disclosed
CN-101128738-B Analytical method AXIS-SHIELD ASA (NO) 2014-10-01 CN disclosed
EP-2624817-A1 NOVEL COMPOSITION Helperby Therapeutics Limited (GB) 2013-08-14 EP disclosed
EP-2613774-A2 NOVEL USE Helperby Therapeutics Limited (GB) 2013-07-17 EP disclosed
EP-2600869-A1 COMBINATION OF A PYRROLOQUINOLINE COMPOUND AND A BETA-LACTAM ANTIMICROBIAL AGENT, MUPIROCIN OR CHLORHEXIDINE Helperby Therapeutics Limited (GB) 2013-06-12 EP disclosed
EP-2552440-A1 NOVEL COMBINATION AND USE Helperby Therapeutics Limited (GB) 2013-02-06 EP disclosed
WO-2012153130-A1 SALTS OF 4 -ETHYL-1-(2 - PHENYLETHYL) - 8 -PHENOXY - 2, 3 - DIHYDRO - 1H - PYRROLO [3, 2 -C] QUINOLINE AND THEIR USE FOR TREATING INFECTIONS HELPERBY THERAPEUTICS LIMITED (GB) 2012-11-15 WO disclosed
WO-2012046078-A1 NOVEL COMPOSITION HELPERBY THERAPEUTICS LIMITED (GB) 2012-04-12 WO disclosed
WO-2012032360-A2 NOVEL USE HELPERBY THERAPEUTICS LIMITED (GB) 2012-03-15 WO disclosed
WO-2012017215-A1 COMBINATION OF A PYRROLOQUINOLINE COMPOUND AND A BETA-LACTAM ANTIMICROBIAL AGENT, MUPIROCIN OR CHLORHEXIDINE HELPERBY THERAPEUTICS LIMITED (GB) 2012-02-09 WO disclosed
WO-2011121345-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2011-10-06 WO disclosed
CN-101128738-A Analytical method AXIS SHIELD ASA (NO) 2008-02-20 CN disclosed