SCHEMBL8312855

SCHEMBL8312855

CCC(=O)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.59
CHUK O15111 13/20 0.59
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
JAK2 O60674 3/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
HDAC3 O15379 1/20 0.51
NCOR1 O75376 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL8312856 0.94 IKBKB (0.57) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8312297 0.91 IKBKB (0.64) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8313176 0.89 IKBKB (0.58) IKBKBCHUK
SCHEMBL8312171 0.89 IKBKB (0.54) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8308491 0.89 IKBKB (0.57) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8309279 0.89 IKBKB (0.59) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8312299 0.87 IKBKB (0.72) IKBKBCHUK
SCHEMBL8315439 0.87 IKBKB (0.54) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8314752 0.87 IKBKB (0.55) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8308557 0.87 IKBKB (0.59) IKBKBCHUKCCNE1CDK2JAK2

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