SCHEMBL7985337

SCHEMBL7985337

O=c1nc(-c2cccnc2)[nH]c2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 1/20 0.48
GRIN1 Q05586 7/20 0.47
GRIN2B Q13224 7/20 0.47
CYP11B1 P15538 1/20 0.42
HPGDS O60760 1/20 0.41
CDK9 P50750 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
SCD O00767 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
MAOB P27338 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL7991676 0.90 ACP1 (0.43) CNOT7GRIN1GRIN2BROCK2ROCK1
SCHEMBL7989422 0.89 CNOT7 (0.47) CNOT7GRIN1GRIN2BCYP11B1CLK1
SCHEMBL7985266 0.89 CNOT7 (0.43) CNOT7GRIN1GRIN2BCYP11B1CDK9
SCHEMBL7985794 0.89 PARN (0.46) CNOT7GRIN1GRIN2BCYP11B1CDK9
SCHEMBL7988938 0.88 CNOT7 (0.48) CNOT7GRIN1GRIN2BCYP11B1ROCK2
SCHEMBL7988666 0.88 CNOT7 (0.48) CNOT7GRIN1GRIN2BROCK2
SCHEMBL7974289 0.88 CNOT7 (0.53) CNOT7CLK1DYRK1A
SCHEMBL7988644 0.87 GRIN1 (0.42) CNOT7GRIN1GRIN2BROCK2ROCK1
SCHEMBL7985302 0.86 ROCK2 (0.41) CNOT7GRIN1GRIN2BCDK9ROCK2
SCHEMBL7987437 0.86 ROCK2 (0.57) CNOT7ROCK2ROCK1

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