SCHEMBL8314809

SCHEMBL8314809

CC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.57
SMG1 Q96Q15 1/20 0.57
IKBKB O14920 11/20 0.56
CHUK O15111 7/20 0.56
CAMK2D Q13557 3/20 0.53
JAK2 O60674 2/20 0.53
JAK3 P52333 1/20 0.53
IKBKG Q9Y6K9 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
FLT3 P36888 1/20 0.49
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL8314825 0.93 MTOR (0.57) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL8311426 0.93 IKBKB (0.56) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL4062111 0.91 IKBKB (0.52) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL8307949 0.90 MAPK8 (0.63) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL8308563 0.90 IKBKB (0.54) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL14020977 0.89 JAK2 (0.58) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL14063912 0.89 IKBKB (0.64) MTORSMG1IKBKBCHUKCAMK2D
SCHEMBL8311423 0.88 IKBKB (0.67) MTORSMG1IKBKBCHUK
SCHEMBL8309748 0.88 IKBKB (0.57) MTORSMG1IKBKBCHUKJAK2
SCHEMBL8308545 0.88 IKBKB (0.69) MTORSMG1IKBKBCHUK

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