SCHEMBL7991676

SCHEMBL7991676

O=c1nc(-c2cccc(F)c2)[nH]c2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PIN1 Q13526 1/20 0.39
P2RX7 Q99572 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
SCHEMBL7985794 0.94 PARN (0.46) GRIN1GRIN2BPARNCNOT7ADORA3
SCHEMBL7987255 0.94 PARN (0.48) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7985302 0.94 ROCK2 (0.41) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7987312 0.93 GRIN1 (0.48) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7991638 0.93 GRIN1 (0.42) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7985362 0.93 GRIN1 (0.45) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7988962 0.93 GRIN1 (0.44) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7988644 0.92 GRIN1 (0.42) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7988736 0.92 ACP1 (0.45) ACP1GRIN1GRIN2BPARNCNOT7
SCHEMBL7985266 0.90 CNOT7 (0.43) GRIN1GRIN2BPARNCNOT7ADORA3

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