SCHEMBL8312166

SCHEMBL8312166

CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.54
CHUK O15111 11/20 0.54
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
MYLK4 Q86YV6 1/20 0.48
STK17A Q9UEE5 1/20 0.48
MTOR P42345 1/20 0.48
SMG1 Q96Q15 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
JAK2 O60674 3/20 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
SCHEMBL8312171 0.89 IKBKB (0.54) IKBKBCHUKCCNE1CDK2MTOR
SCHEMBL8312348 0.88 MTOR (0.48) IKBKBCHUKCDK2MYLK4STK17A
SCHEMBL8312297 0.86 IKBKB (0.64) IKBKBCHUKCCNE1CDK2MAPK8
SCHEMBL14021585 0.86 CDK1 (0.53) IKBKBCHUKCDK2MYLK4STK17A
SCHEMBL8312855 0.85 IKBKB (0.59) IKBKBCHUKCCNE1CDK2MAPK8
SCHEMBL8314752 0.85 IKBKB (0.55) IKBKBCHUKCCNE1CDK2MAPK8
SCHEMBL14021233 0.84 CDK1 (0.49) IKBKBCHUKCDK2MYLK4STK17A
SCHEMBL8312856 0.84 IKBKB (0.57) IKBKBCHUKCCNE1CDK2MAPK8
SCHEMBL8309279 0.84 IKBKB (0.59) IKBKBCHUKCCNE1CDK2MAPK8
SCHEMBL8315439 0.84 IKBKB (0.54) IKBKBCHUKCCNE1CDK2MAPK8

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