SCHEMBL7988644

SCHEMBL7988644

O=c1nc(-c2ccc(F)cc2)[nH]c2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
MAPK1 P28482 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
ADORA2B P29275 3/20 0.39
ACP1 P24666 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MAPK14 Q16539 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7985794 0.94 PARN (0.46) GRIN1GRIN2BMKNK1MKNK2PARN
SCHEMBL7991676 0.92 ACP1 (0.43) GRIN1GRIN2BMKNK1MKNK2PARN
SCHEMBL7985266 0.92 CNOT7 (0.43) GRIN1GRIN2BMKNK1MKNK2PARN
SCHEMBL7988570 0.91 HPGD (0.47) GRIN1GRIN2BPARNCNOT7ACP1
SCHEMBL7988820 0.91 MAPK1 (0.48) GRIN1GRIN2BMKNK1MKNK2PARN
SCHEMBL7974508 0.90 CNOT7 (0.51) PARNCNOT7ADORA2BACP1ALDH1A1
SCHEMBL7988736 0.89 ACP1 (0.45) GRIN1GRIN2BPARNCNOT7MAPK1
SCHEMBL7984283 0.89 CNOT7 (0.43) PARNCNOT7ACP1ALDH1A1MAPT
SCHEMBL7985302 0.89 ROCK2 (0.41) GRIN1GRIN2BMKNK1MKNK2PARN
SCHEMBL7988752 0.88 TP53 (0.48) GRIN1GRIN2BMAPK1ROCK2ROCK1

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