SCHEMBL8312555

SCHEMBL8312555

CC(C)(O)CCSc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCNCC4)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 13/20 0.52
▸ CHUK O15111 13/20 0.52
▸ IKBKG Q9Y6K9 2/20 0.51
▸ MKNK1 Q9BUB5 3/20 0.47
▸ DYRK2 Q92630 1/20 0.47
▸ MKNK2 Q9HBH9 5/20 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
SCHEMBL8312437 0.92 IKBKB (0.47) IKBKBCHUKIKBKGMKNK1DYRK2
SCHEMBL8312435 0.92 IKBKB (0.51) IKBKBCHUKIKBKG
SCHEMBL8311749 0.90 IKBKB (0.55) IKBKBCHUKIKBKG
SCHEMBL14063856 0.90 IKBKB (0.53) IKBKBCHUKMKNK1DYRK2MKNK2
SCHEMBL8315467 0.88 IKBKB (0.52) IKBKBCHUKIKBKGMKNK1DYRK2
SCHEMBL8165798 0.88 IKBKB (0.51) IKBKBCHUKIKBKGMKNK1DYRK2
SCHEMBL14063857 0.87 IKBKB (0.49) IKBKBCHUKIKBKG
SCHEMBL8314446 0.87 IKBKB (0.51) IKBKBCHUKIKBKGMKNK1DYRK2
SCHEMBL8311902 0.86 IKBKB (0.50) IKBKBCHUKIKBKGDYRK2
SCHEMBL8308363 0.86 IKBKB (0.50) IKBKBCHUKIKBKGMKNK1DYRK2

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
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