SCHEMBL7987437

SCHEMBL7987437

COc1cccc(Cn2cnc3[nH]c(-c4cccnc4)nc(=O)c32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
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 5/20 0.46
CNOT7 Q9UIV1 1/20 0.46
HCRTR1 O43613 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
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
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 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
SCHEMBL7985852 0.90 TP53 (0.52) ROCK2TP53RXFP1ROCK1AURKA
SCHEMBL7989314 0.90 ROCK2 (0.55) ROCK2TP53RXFP1ROCK1AURKA
SCHEMBL7974021 0.89 TP53 (0.51) ROCK2TP53RXFP1ROCK1CNOT7
SCHEMBL7988938 0.88 CNOT7 (0.48) ROCK2NPY5RCNOT7CYP1A2CYP3A4
SCHEMBL7985655 0.87 TP53 (0.48) ROCK2TP53RXFP1ROCK1AURKA
SCHEMBL7974316 0.86 TP53 (0.48) ROCK2TP53RXFP1ROCK1AURKA
SCHEMBL7974096 0.86 TP53 (0.48) ROCK2TP53RXFP1ROCK1AURKA
SCHEMBL7984697 0.86 TP53 (0.48) ROCK2TP53RXFP1ROCK1AURKA
SCHEMBL7985337 0.86 CNOT7 (0.48) ROCK2ROCK1CNOT7
SCHEMBL7988666 0.86 CNOT7 (0.48) ROCK2NPY5RCNOT7CYP3A4CYP2C19

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