SCHEMBL6833359

SCHEMBL6833359

Nc1nc(C(=O)OCc2ccccc2)nc2c1ncn2CC(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
EGFR P00533 2/20 0.42
ADORA2A P29274 5/20 0.41
TMIGD3 P0DMS9 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2B P29275 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PNP P00491 1/20 0.40
AHCY P23526 1/20 0.39
ALDH1A1 P00352 5/20 0.38

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
SCHEMBL2152998 0.91 EGFR (0.44) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL2153195 0.87 TSHR (0.45) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL19847501 0.82 MAPT (0.44) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19847491 0.82 MAPT (0.45) ADORA2ATMIGD3ADORA1MAPTKDM4E
SCHEMBL7205594 0.80 EGFR (0.48) EGFRADORA2AADORA1PI4KAPI4K2B
SCHEMBL19978373 0.80 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21896378 0.80 CDK1 (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL8340777 0.78 DAPK1 (0.46) MAPTADORA3ALDH1A1HPGDKMT2A
SCHEMBL8581230 0.73 KMT2A (0.45) ADORA2AMAPTKDM4EMAOBMEN1
SCHEMBL20275398 0.73 NPC1 (0.48) ADORA2AADORA2BPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756199-B1 USED FOR THE SYNTHESIS OF BOTH PREDEFINED AND RANDOM SEQUENCE PEPTIDE NUCLEIC ACID OLIGOMERS ISIS PHARMACEUTICALS, INC. 2004-06-29 US disclosed
EP-0777678-A4 1997-07-16 EP disclosed
EP-0777678-A1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 1997-06-11 EP disclosed
WO-1995023163-A1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed