SCHEMBL8308666

SCHEMBL8308666

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 18/20 0.65
CHUK O15111 16/20 0.65
CDK1 P06493 1/20 0.54
CDK2 P24941 1/20 0.54
JAK2 O60674 1/20 0.53

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
SCHEMBL8308545 0.96 IKBKB (0.69) IKBKBCHUK
SCHEMBL8311423 0.93 IKBKB (0.67) IKBKBCHUK
SCHEMBL8311421 0.92 IKBKB (0.66) IKBKBCHUKJAK2
SCHEMBL8312614 0.92 IKBKB (0.66) IKBKBCHUKJAK2
SCHEMBL8312637 0.90 IKBKB (0.80) IKBKBCHUK
SCHEMBL8312297 0.90 IKBKB (0.64) IKBKBCHUKCDK2JAK2
SCHEMBL8313896 0.90 IKBKB (0.63) IKBKBCHUKJAK2
SCHEMBL14063888 0.90 IKBKB (0.63) IKBKBCHUK
SCHEMBL8308729 0.88 IKBKB (0.61) IKBKBCHUK
SCHEMBL4074460 0.86 IKBKB (0.79) IKBKBCHUKJAK2

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