SCHEMBL7985650

SCHEMBL7985650

COc1cccc(Cn2cnc3nc(-c4cccc(N)c4)[nH]c(=O)c32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 7/20 0.45
ROCK1 Q13464 5/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
AURKA O14965 2/20 0.43
PRKCB P05771 1/20 0.43
GRK2 P25098 1/20 0.43
AKT1 P31749 1/20 0.43
GRK5 P34947 1/20 0.43

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
SCHEMBL7985844 0.94 GAA (0.52) GAATP53RXFP1HPGDROCK2
SCHEMBL7974016 0.91 GAA (0.56) GAATP53RXFP1MEN1HPGD
SCHEMBL7974092 0.90 GAA (0.51) GAATP53RXFP1MEN1HPGD
SCHEMBL7974310 0.90 GAA (0.48) GAATP53RXFP1HPGDROCK2
SCHEMBL7984692 0.90 GAA (0.48) GAATP53RXFP1HPGDROCK2
SCHEMBL7974583 0.89 GAA (0.59) GAATP53RXFP1MEN1HPGD
SCHEMBL7985371 0.89 GAA (0.49) GAATP53RXFP1POLBHPGD
SCHEMBL7991871 0.88 GAA (0.51) GAATP53RXFP1MEN1HPGD
SCHEMBL7985575 0.88 HPGD (0.49) GAATP53RXFP1HPGDROCK2
SCHEMBL7989309 0.87 ROCK2 (0.55) GAATP53RXFP1HPGDROCK2

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