SCHEMBL8311749

SCHEMBL8311749

CC(C)(O)CCSc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC(O)CC4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 10/20 0.55
▸ CHUK O15111 10/20 0.55
▸ IKBKG Q9Y6K9 9/20 0.55
▸ JAK2 O60674 8/20 0.48
▸ JAK3 P52333 7/20 0.48
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ SMG1 Q96Q15 1/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL8312555 0.90 IKBKB (0.52) IKBKBCHUKIKBKG
SCHEMBL8312435 0.90 IKBKB (0.51) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL8308567 0.88 IKBKB (0.50) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL14021279 0.87 JAK2 (0.48) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL8312437 0.86 IKBKB (0.47) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL14063857 0.86 IKBKB (0.49) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL14063864 0.85 IKBKB (0.47) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL8311902 0.85 IKBKB (0.50) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL14063861 0.84 IKBKB (0.47) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL8254568 0.81 JAK2 (0.55) 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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