SCHEMBL7985266

SCHEMBL7985266

O=c1nc(-c2ccncc2)[nH]c2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 3/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PARN O95453 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CDK9 P50750 2/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
MAOB P27338 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL7988644 0.92 GRIN1 (0.42) CNOT7ROCK2ROCK1GRIN1GRIN2B
SCHEMBL7985794 0.92 PARN (0.46) CNOT7ROCK2ROCK1GRIN1GRIN2B
SCHEMBL7991676 0.90 ACP1 (0.43) CNOT7ROCK2ROCK1GRIN1GRIN2B
SCHEMBL7985337 0.89 CNOT7 (0.48) CNOT7ROCK2ROCK1GRIN1GRIN2B
SCHEMBL8056886 0.88 SMN1; SMN2 (0.46) CNOT7MAPK13RAF1MAPK12MAPK11
SCHEMBL7988751 0.88 CNOT7 (0.43) CNOT7ROCK2ROCK1GRIN1GRIN2B
SCHEMBL7985279 0.87 CNOT7 (0.49) CNOT7MAPK13MAPK12MAPK11MAPK14
SCHEMBL7974444 0.87 CNOT7 (0.52) CNOT7KDM4EPARNADORA2BGRK2
SCHEMBL7985302 0.87 ROCK2 (0.41) CNOT7ROCK2ROCK1GRIN1GRIN2B
SCHEMBL7985362 0.86 GRIN1 (0.45) CNOT7GRIN1GRIN2BPARNMAPK1

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