SCHEMBL8314529

SCHEMBL8314529

C[C@@H]1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)n3)cc2)C[C@H](C)N1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.63
CHUK O15111 16/20 0.63
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL8314580 0.93 IKBKB (0.66) IKBKBCHUK
SCHEMBL8311727 0.92 IKBKB (0.63) IKBKBCHUK
SCHEMBL8313918 0.92 IKBKB (0.65) IKBKBCHUK
SCHEMBL8312299 0.88 IKBKB (0.72) IKBKBCHUK
SCHEMBL8312297 0.87 IKBKB (0.64) IKBKBCHUKCCNE1CDK2
SCHEMBL8308557 0.86 IKBKB (0.59) IKBKBCHUKCCNE1CDK2
SCHEMBL8309279 0.85 IKBKB (0.59) IKBKBCHUKCCNE1CDK2
SCHEMBL8308491 0.85 IKBKB (0.57) IKBKBCHUKCCNE1CDK2
SCHEMBL8312855 0.85 IKBKB (0.59) IKBKBCHUKCCNE1CDK2
SCHEMBL27634134 0.84 IKBKB (0.67) IKBKBCHUKCCNE1CDK2

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