SCHEMBL8308563

SCHEMBL8308563

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)Nc5ccccc5)cc4)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.54
CHUK O15111 4/20 0.54
CAMK2D Q13557 2/20 0.53
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
MTOR P42345 1/20 0.53
SMG1 Q96Q15 1/20 0.53
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.51
BRAF P15056 1/20 0.51
EIF2AK3 Q9NZJ5 1/20 0.51
HCRTR1 O43613 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL4062111 0.97 IKBKB (0.52) IKBKBCHUKCAMK2DJAK2JAK3
SCHEMBL8311025 0.93 HTT (0.58) IKBKBCHUKMTORSMG1HTT
SCHEMBL14063902 0.92 IKBKB (0.54) IKBKBCHUKJAK2JAK3MTOR
SCHEMBL14063805 0.92 IKBKB (0.54) IKBKBCHUKJAK2JAK3MTOR
SCHEMBL14063806 0.91 IKBKB (0.51) IKBKBCHUKJAK2JAK3MTOR
SCHEMBL8314809 0.90 MTOR (0.57) IKBKBCHUKCAMK2DJAK2JAK3
SCHEMBL14021361 0.90 IKBKB (0.56) IKBKBCHUKMTORSMG1HTT
SCHEMBL14063809 0.90 IKBKB (0.56) IKBKBCHUKMTORSMG1HTT
SCHEMBL8309748 0.89 IKBKB (0.57) IKBKBCHUKJAK2MTORSMG1
SCHEMBL8311370 0.88 MTOR (0.52) IKBKBCHUKMTORSMG1HTT

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