SCHEMBL8313176

SCHEMBL8313176

CCC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.58
CHUK O15111 16/20 0.58
KMT2A Q03164 1/20 0.48
MTOR P42345 1/20 0.47
SMG1 Q96Q15 1/20 0.47

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
SCHEMBL14063888 0.91 IKBKB (0.63) IKBKBCHUKKMT2A
SCHEMBL8312855 0.89 IKBKB (0.59) IKBKBCHUK
SCHEMBL8313896 0.84 IKBKB (0.63) IKBKBCHUKMTORSMG1
SCHEMBL8308545 0.84 IKBKB (0.69) IKBKBCHUKMTORSMG1
SCHEMBL8312856 0.83 IKBKB (0.57) IKBKBCHUK
SCHEMBL8308729 0.82 IKBKB (0.61) IKBKBCHUKKMT2AMTORSMG1
SCHEMBL8311423 0.82 IKBKB (0.67) IKBKBCHUKMTORSMG1
SCHEMBL14021080 0.82 PIK3CA (0.52) IKBKBCHUK
SCHEMBL8312950 0.82 IKBKB (0.57) IKBKBCHUKMTORSMG1
SCHEMBL8312614 0.81 IKBKB (0.66) IKBKBCHUKMTORSMG1

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
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