SCHEMBL8308468

SCHEMBL8308468

CC(C)(CO)CSc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(CC(=O)N5CCCC5)CC4)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.47
▸ MTOR P42345 1/20 0.46
▸ SMG1 Q96Q15 1/20 0.46
▸ IKBKB O14920 8/20 0.46
▸ CHUK O15111 8/20 0.46
▸ IKBKG Q9Y6K9 8/20 0.46
▸ ACVR1 Q04771 1/20 0.44
▸ JAK2 O60674 5/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ PLK4 O00444 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
SCHEMBL14063869 0.89 CDK1 (0.44) MTORSMG1IKBKBCHUKIKBKG
SCHEMBL8311902 0.89 IKBKB (0.50) SYKMTORSMG1IKBKBCHUK
SCHEMBL14063867 0.88 JAK2 (0.46) SYKMTORSMG1IKBKBCHUK
SCHEMBL8315467 0.86 IKBKB (0.52) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL8308567 0.85 IKBKB (0.50) MTORSMG1IKBKBCHUKIKBKG
SCHEMBL14063873 0.85 SYK (0.47) SYKIKBKBCHUKIKBKGJAK2
SCHEMBL8315465 0.84 HTT (0.46) MTORSMG1IKBKBCHUKIKBKG
SCHEMBL8313329 0.84 SYK (0.53) SYKMTORSMG1IKBKBCHUK
SCHEMBL14063781 0.84 SYK (0.53) SYKMTORSMG1IKBKBCHUK
SCHEMBL8308477 0.81 IKBKB (0.46) 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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