SCHEMBL8308477

SCHEMBL8308477

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 8/20 0.46
▸ CHUK O15111 8/20 0.46
▸ IKBKG Q9Y6K9 4/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ ATR Q13535 1/20 0.42
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ ZAP70 P43403 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ JAK1 P23458 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
SCHEMBL8249628 0.92 IKBKB (0.47) IKBKBCHUKIKBKGJAK2CDK1
SCHEMBL8315467 0.92 IKBKB (0.52) IKBKBCHUKIKBKGJAK2PLK4
SCHEMBL8312437 0.89 IKBKB (0.47) IKBKBCHUKIKBKGJAK2CDK1
SCHEMBL8308567 0.86 IKBKB (0.50) IKBKBCHUKIKBKGJAK2CDK1
SCHEMBL14063867 0.86 JAK2 (0.46) IKBKBCHUKIKBKGJAK2CDK1
SCHEMBL14021278 0.86 IKBKB (0.46) IKBKBCHUKJAK2CDK1CDK2
SCHEMBL14021271 0.84 IKBKB (0.55) IKBKBCHUKJAK2CDK1CDK2
SCHEMBL14021276 0.84 IKBKB (0.55) IKBKBCHUKJAK2CDK1CDK2
SCHEMBL14021274 0.84 IKBKB (0.55) IKBKBCHUKJAK2CDK1CDK2
SCHEMBL8315465 0.82 HTT (0.46) IKBKBCHUKIKBKGJAK2CDK1

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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