SCHEMBL7985000

SCHEMBL7985000

CCCn1cnc2nc(-c3ccccc3)nc(O)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
NR1H3 Q13133 1/20 0.36
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TMIGD3 P0DMS9 2/20 0.34
ACP1 P24666 1/20 0.34
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GFER P55789 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7988251 0.92 NR1H3 (0.43) ADORA2ANR1H3ADORA1ADORA3ACP1
SCHEMBL7985379 0.91 TLR8 (0.44) NR1H3CNR2
SCHEMBL7974065 0.90 TLR8 (0.43) ADORA2ANR1H3ADORA3CNR2
SCHEMBL7988491 0.89 ADORA2A (0.38) ADORA2AADORA1ADORA3ACP1L3MBTL1
SCHEMBL7974615 0.85 ADORA2A (0.44) ADORA2AADORA1ADORA3
SCHEMBL7984242 0.83 CNOT7 (0.45) ADORA2AADORA1ADORA3
SCHEMBL7984498 0.83 TLR7 (0.44) ADORA2AADORA1ADORA3PDE4APDE4B
SCHEMBL7975267 0.82 SMN1; SMN2 (0.46) ADORA2ANR1H3ADORA1ADORA3KMT2A
SCHEMBL7984788 0.80 CYP11B1 (0.45) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7984717 0.80 SMN1; SMN2 (0.46) ADORA2AADORA1ADORA3KMT2A

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