SCHEMBL8314580

SCHEMBL8314580

C[C@@H]1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)n3)cc2)C[C@H](C)N1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.66
CHUK O15111 18/20 0.66

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
SCHEMBL8313918 0.99 IKBKB (0.65) IKBKBCHUK
SCHEMBL8314529 0.93 IKBKB (0.63) IKBKBCHUK
SCHEMBL8313912 0.88 IKBKB (0.75) IKBKBCHUK
SCHEMBL8313405 0.87 IKBKB (0.74) IKBKBCHUK
SCHEMBL14063893 0.86 IKBKB (0.54) IKBKBCHUK
SCHEMBL8311423 0.86 IKBKB (0.67) IKBKBCHUK
SCHEMBL8311421 0.85 IKBKB (0.66) IKBKBCHUK
SCHEMBL8312614 0.85 IKBKB (0.66) IKBKBCHUK
SCHEMBL8311727 0.85 IKBKB (0.63) IKBKBCHUK
SCHEMBL8253604 0.84 IKBKB (0.52) IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed