SCHEMBL7987428

SCHEMBL7987428

COc1cccc(Cn2cnc3nc(-c4cccnc4)[nH]c(=O)c32)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.57
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPY5R Q15761 1/20 0.47
TNIK Q9UKE5 2/20 0.47
ROCK1 Q13464 6/20 0.46
AURKA O14965 2/20 0.44
PRKCB P05771 1/20 0.44
GRK2 P25098 1/20 0.44
AKT1 P31749 1/20 0.44
GRK5 P34947 1/20 0.44
GRK6 P43250 1/20 0.44
CAMK2B Q13554 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
GRK7 Q8WTQ7 1/20 0.44
HCRTR1 O43613 1/20 0.44
KDM4C Q9H3R0 1/20 0.42

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 0.90 GAA (0.52) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7989309 0.90 ROCK2 (0.55) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7974016 0.89 GAA (0.56) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7988931 0.88 GRIN1 (0.44) ROCK2GAARXFP1NPY5R
SCHEMBL7985650 0.87 GAA (0.49) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7984692 0.86 GAA (0.48) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7974310 0.86 GAA (0.48) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7974092 0.86 GAA (0.51) ROCK2GAATP53RXFP1ROCK1
SCHEMBL7985331 0.86 GRIN1 (0.45) ROCK2GAARXFP1KDM4C
SCHEMBL7988656 0.86 NPY5R (0.44) GAARXFP1NPY5R

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