SCHEMBL19752007

SCHEMBL19752007

FC(F)(CCNc1cccc(NCCCc2ccc3c(n2)NCCC3)n1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
ITGAV P06756 16/20 0.43
ITGB3 P05106 13/20 0.43
ITGB6 P18564 7/20 0.42
ITGB8 P26012 6/20 0.42
ITGB5 P18084 5/20 0.42
CXCR4 P61073 3/20 0.41
ITGB1 P05556 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA5 P08648 1/20 0.40

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
SCHEMBL12705223 0.87 CXCR4 (0.44) APPITGAVITGB3ITGB6ITGB8
SCHEMBL12710167 0.81 APP (0.43) APPITGAVITGB3ITGB6ITGB8
SCHEMBL12705294 0.80 APP (0.60) APPITGAVITGB3ITGB6ITGB8
SCHEMBL12705474 0.79 ITGAV (0.35) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL12705298 0.76 APP (0.48) APPITGAVITGB3ITGB6ITGB8
SCHEMBL22223399 0.69 ITGAV (0.58) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL22497890 0.68 ITGAV (0.55) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL21339925 0.67 CXCR4 (0.51) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL14195956 0.67 ITGAV (0.52) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL13355375 0.67 ITGAV (0.57) ITGAVITGB3ITGB6ITGB8ITGB5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed