SCHEMBL8311634

SCHEMBL8311634

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.54
CHUK O15111 8/20 0.54
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
IKBKG Q9Y6K9 1/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
JAK2 O60674 6/20 0.46
JAK3 P52333 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL8309748 0.90 IKBKB (0.57) IKBKBCHUKMTORSMG1CDK1
SCHEMBL8311025 0.87 HTT (0.58) IKBKBCHUKMTORSMG1MAPK8
SCHEMBL8308563 0.87 IKBKB (0.54) IKBKBCHUKMTORSMG1JAK2
SCHEMBL8308545 0.86 IKBKB (0.69) IKBKBCHUKMTORSMG1
SCHEMBL14063902 0.86 IKBKB (0.54) IKBKBCHUKMTORSMG1JAK2
SCHEMBL14063805 0.86 IKBKB (0.54) IKBKBCHUKMTORSMG1JAK2
SCHEMBL4062111 0.86 IKBKB (0.52) IKBKBCHUKMTORSMG1IKBKG
SCHEMBL14063809 0.85 IKBKB (0.56) IKBKBCHUKMTORSMG1MAPK8
SCHEMBL14063881 0.85 IKBKB (0.56) IKBKBCHUKMTORSMG1IKBKG
SCHEMBL8311426 0.85 IKBKB (0.56) IKBKBCHUKMTORSMG1IKBKG

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