SCHEMBL7984498

SCHEMBL7984498

CC(C)Cn1cnc2nc(-c3ccccc3)nc(O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.44
ADORA2A P29274 3/20 0.44
PDE4D Q08499 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
NUDT1 P36639 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
TEK Q02763 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL7988491 0.85 ADORA2A (0.38) ADORA2ALMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL7985000 0.83 ADORA2A (0.40) ADORA2APDE4DPDE4APDE4BPDE4C
SCHEMBL7975267 0.81 SMN1; SMN2 (0.46) ADORA2ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL7988251 0.81 NR1H3 (0.43) ADORA2APOLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL7985379 0.80 TLR8 (0.44) ALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL7974615 0.79 ADORA2A (0.44) ADORA2AALDH1A1ADORA3ADORA1
SCHEMBL7974065 0.79 TLR8 (0.43) ADORA2AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL7984717 0.79 SMN1; SMN2 (0.46) ADORA2ALMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL7984788 0.79 CYP11B1 (0.45) PDE4DLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL7984242 0.77 CNOT7 (0.45) ADORA2ALMNAPOLBALDH1A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed