SCHEMBL8312451

SCHEMBL8312451

O=C(c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)C4CCOCC4)cc3)n2)cc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.58
CHUK O15111 15/20 0.58
JAK2 O60674 4/20 0.51
MTOR P42345 1/20 0.51
SMG1 Q96Q15 1/20 0.51
JAK3 P52333 2/20 0.50
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL8312080 0.91 IKBKB (0.52) IKBKBCHUKJAK2MTORSMG1
SCHEMBL8313895 0.91 JAK2 (0.54) IKBKBCHUKJAK2MTORSMG1
SCHEMBL13590786 0.90 IKBKB (0.51) IKBKBCHUKJAK2MTORSMG1
SCHEMBL13590781 0.89 IKBKB (0.49) IKBKBCHUKJAK2MTORSMG1
SCHEMBL14021396 0.89 IKBKB (0.56) IKBKBCHUKJAK2MTORSMG1
SCHEMBL8312206 0.87 MTOR (0.50) IKBKBCHUKJAK2MTORSMG1
SCHEMBL8312299 0.86 IKBKB (0.72) IKBKBCHUK
SCHEMBL4067768 0.85 CAMK2D (0.59) IKBKBCHUKJAK2JAK3HDAC3
SCHEMBL8313348 0.84 SMG1 (0.48) IKBKBCHUKJAK2MTORSMG1
SCHEMBL4071263 0.83 SYK (0.47) IKBKBCHUKJAK2MTORSMG1

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