SCHEMBL5049210

SCHEMBL5049210

CCC(C(=O)O)n1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.63
ADORA1 P30542 3/20 0.63
ADORA2B P29275 2/20 0.63
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
ALDH1A1 P00352 2/20 0.54
ADA P00813 4/20 0.51
PDE2A O00408 3/20 0.51
CYP3A4 P08684 2/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL48132 0.81 ADORA2A (0.67) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6045692 0.81 ADORA2A (0.60) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5360808 0.80 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4329768 0.80 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19662193 0.80 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6045657 0.79 ADORA2A (0.58) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6055155 0.79 ADORA2A (0.54) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4572183 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL240049 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL233401 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 EP disclosed
EP-1590331-A1 METHOD OF PREPARING AN ACYLIMIDAZOLIUM-TYPE REAGENT Rhodia Chimie (FR) 2005-11-02 EP disclosed
WO-2004069807-A1 METHOD OF PREPARING AN ACYLIMIDAZOLIUM-TYPE REAGENT RHODIA CHIMIE (FR) 2004-08-19 WO disclosed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US disclosed
US-6133444-A PURINE PEPTIDE NUCLEIC ACIDS SYNTHONS PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-10-17 US disclosed
EP-0840736-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PerSeptive Biosystems, Inc. (US) 1998-05-13 EP disclosed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO disclosed