SCHEMBL8314752

SCHEMBL8314752

CN(C)CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.55
CHUK O15111 12/20 0.55
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
JAK2 O60674 4/20 0.49
JAK3 P52333 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 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
SCHEMBL8311363 0.95 IKBKB (0.54) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8314450 0.93 IKBKB (0.57) IKBKBCHUK
SCHEMBL8314750 0.92 IKBKB (0.57) IKBKBCHUK
SCHEMBL14063891 0.89 IKBKB (0.56) IKBKBCHUK
SCHEMBL8315439 0.88 IKBKB (0.54) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8313924 0.88 IKBKB (0.55) IKBKBCHUK
SCHEMBL14063894 0.87 SYK (0.51) IKBKBCHUKCDK2JAK2JAK3
SCHEMBL8312297 0.87 IKBKB (0.64) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8312855 0.87 IKBKB (0.59) IKBKBCHUKCCNE1CDK2JAK2
SCHEMBL8312171 0.85 IKBKB (0.54) 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