SCHEMBL8312437

SCHEMBL8312437

C[C@@H]1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(SCCC(C)(C)O)cc4)n3)cc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 10/20 0.47
▸ CHUK O15111 10/20 0.47
▸ IKBKG Q9Y6K9 3/20 0.47
▸ JAK1 P23458 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ DYRK2 Q92630 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ZAP70 P43403 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL8249628 0.94 IKBKB (0.47) IKBKBCHUKIKBKGJAK1CDK1
SCHEMBL8312555 0.92 IKBKB (0.52) IKBKBCHUKIKBKGMKNK1DYRK2
SCHEMBL8308477 0.89 IKBKB (0.46) IKBKBCHUKIKBKGJAK1CDK1
SCHEMBL14021278 0.88 IKBKB (0.46) IKBKBCHUKJAK1CDK1CDK2
SCHEMBL8311749 0.86 IKBKB (0.55) IKBKBCHUKIKBKGJAK1CDK1
SCHEMBL8312435 0.86 IKBKB (0.51) IKBKBCHUKIKBKGJAK1CDK1
SCHEMBL14021276 0.83 IKBKB (0.55) IKBKBCHUKJAK1CDK1CDK2
SCHEMBL14021274 0.83 IKBKB (0.55) IKBKBCHUKJAK1CDK1CDK2
SCHEMBL14021271 0.83 IKBKB (0.55) IKBKBCHUKJAK1CDK1CDK2
SCHEMBL8315467 0.82 IKBKB (0.52) 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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