SCHEMBL7989314

SCHEMBL7989314

COc1cccc(Cn2cnc3[nH]c(-c4ccncc4)nc(=O)c32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.55
ROCK1 Q13464 10/20 0.55
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GRK5 P34947 2/20 0.44
AURKA O14965 1/20 0.44
PRKCB P05771 1/20 0.44
GRK2 P25098 1/20 0.44
AKT1 P31749 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
GAA P10253 1/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
YTHDC1 Q96MU7 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
SCHEMBL7974021 0.92 TP53 (0.51) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7985852 0.91 TP53 (0.52) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7987437 0.90 ROCK2 (0.57) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7988752 0.89 TP53 (0.48) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7985655 0.87 TP53 (0.48) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7988751 0.87 CNOT7 (0.43) ROCK2ROCK1MAPK14KDM4E
SCHEMBL7974316 0.87 TP53 (0.48) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7974096 0.87 TP53 (0.48) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7984697 0.87 TP53 (0.48) ROCK2ROCK1TP53RXFP1GRK5
SCHEMBL7974586 0.86 GAA (0.52) TP53RXFP1GAA

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