SCHEMBL8312947

SCHEMBL8312947

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCCCC5C)cc4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.54
CHUK O15111 14/20 0.54
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
LMNA P02545 1/20 0.49
AKR1C3 P42330 2/20 0.47
JAK2 O60674 1/20 0.46
IKBKG Q9Y6K9 4/20 0.46
SYK P43405 1/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKCZ Q05513 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL8311423 0.87 IKBKB (0.67) IKBKBCHUKMTORSMG1
SCHEMBL8312614 0.87 IKBKB (0.66) IKBKBCHUKMTORSMG1JAK2
SCHEMBL8311421 0.87 IKBKB (0.66) IKBKBCHUKMTORSMG1JAK2
SCHEMBL14063888 0.86 IKBKB (0.63) IKBKBCHUKKMT2A
SCHEMBL8308729 0.85 IKBKB (0.61) IKBKBCHUKMTORSMG1IKBKG
SCHEMBL8308545 0.85 IKBKB (0.69) IKBKBCHUKMTORSMG1
SCHEMBL8312950 0.85 IKBKB (0.57) IKBKBCHUKMTORSMG1TDP1
SCHEMBL8313896 0.84 IKBKB (0.63) IKBKBCHUKMTORSMG1JAK2
SCHEMBL14063903 0.84 MTOR (0.53) IKBKBCHUKMTORSMG1JAK2
SCHEMBL8312528 0.83 IKBKB (0.57) IKBKBCHUKMTORSMG1JAK2

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