SCHEMBL8315467

SCHEMBL8315467

CC(C)(CO)CSc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCNCC4)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 11/20 0.52
▸ CHUK O15111 11/20 0.52
▸ MKNK1 Q9BUB5 3/20 0.47
▸ IKBKG Q9Y6K9 2/20 0.47
▸ MKNK2 Q9HBH9 5/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ DYRK2 Q92630 1/20 0.45
▸ PLK4 O00444 1/20 0.45

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
SCHEMBL8308477 0.92 IKBKB (0.46) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL14063867 0.91 JAK2 (0.46) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL8308567 0.89 IKBKB (0.50) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL8312555 0.88 IKBKB (0.52) IKBKBCHUKMKNK1IKBKGMKNK2
SCHEMBL14063856 0.88 IKBKB (0.53) IKBKBCHUKMKNK1MKNK2JAK2
SCHEMBL8315465 0.86 HTT (0.46) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL8165798 0.86 IKBKB (0.51) IKBKBCHUKMKNK1IKBKGMKNK2
SCHEMBL8308468 0.86 SYK (0.47) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL8314446 0.85 IKBKB (0.51) IKBKBCHUKMKNK1IKBKGMKNK2
SCHEMBL14063873 0.84 SYK (0.47) IKBKBCHUKIKBKGJAK2PLK4

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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