SCHEMBL8314446

SCHEMBL8314446

O=C(c1ccc(Nc2nccc(-c3ccc(SCCCCO)cc3)n2)cc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 12/20 0.51
▸ CHUK O15111 12/20 0.51
▸ IKBKG Q9Y6K9 1/20 0.49
▸ MKNK1 Q9BUB5 4/20 0.48
▸ MKNK2 Q9HBH9 5/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44

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
SCHEMBL8165798 0.97 IKBKB (0.51) IKBKBCHUKIKBKGMKNK1MKNK2
SCHEMBL14063856 0.94 IKBKB (0.53) IKBKBCHUKMKNK1MKNK2DYRK2
SCHEMBL8313335 0.90 IKBKB (0.49) IKBKBCHUKIKBKG
SCHEMBL8308363 0.88 IKBKB (0.50) IKBKBCHUKIKBKGMKNK1MKNK2
SCHEMBL8312555 0.87 IKBKB (0.52) IKBKBCHUKIKBKGMKNK1MKNK2
SCHEMBL5070979 0.87 IKBKB (0.47) IKBKBCHUKIKBKG
SCHEMBL4070513 0.86 IKBKB (0.48) IKBKBCHUKIKBKG
SCHEMBL8315467 0.85 IKBKB (0.52) IKBKBCHUKIKBKGMKNK1MKNK2
SCHEMBL8313394 0.83 IKBKB (0.46) IKBKBCHUKIKBKGDYRK2
SCHEMBL4066231 0.83 CAMK2D (0.63) IKBKBCHUKIKBKG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — 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
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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