SCHEMBL8311902

SCHEMBL8311902

CC(C)(O)CCSc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(CC(=O)N5CCCC5)CC4)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 8/20 0.50
▸ CHUK O15111 8/20 0.50
▸ IKBKG Q9Y6K9 7/20 0.50
▸ SYK P43405 4/20 0.47
▸ MTOR P42345 1/20 0.43
▸ SMG1 Q96Q15 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ DYRK2 Q92630 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14063861 0.90 IKBKB (0.47) IKBKBCHUKIKBKGSYKMTOR
SCHEMBL8308468 0.89 SYK (0.47) IKBKBCHUKIKBKGSYKMTOR
SCHEMBL8312435 0.88 IKBKB (0.51) IKBKBCHUKIKBKGSYKJAK2
SCHEMBL8312555 0.86 IKBKB (0.52) IKBKBCHUKIKBKGDYRK2
SCHEMBL8311749 0.85 IKBKB (0.55) IKBKBCHUKIKBKGMTORSMG1
SCHEMBL14063864 0.85 IKBKB (0.47) IKBKBCHUKIKBKGSYKJAK2
SCHEMBL14063857 0.84 IKBKB (0.49) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL14063781 0.83 SYK (0.53) IKBKBCHUKIKBKGSYKMTOR
SCHEMBL8313329 0.83 SYK (0.53) IKBKBCHUKIKBKGSYKMTOR
SCHEMBL8312437 0.81 IKBKB (0.47) IKBKBCHUKIKBKGJAK2JAK3

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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