SCHEMBL12653318

SCHEMBL12653318

CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(I)cc2c1[nH]c1cnccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 12/20 0.56
ICOS Q9Y6W8 12/20 0.56
CHUK O15111 13/20 0.46
IKBKB O14920 2/20 0.43
MEN1 O00255 1/20 0.43
PIM1 P11309 1/20 0.43
KMT2A Q03164 1/20 0.43
PIM3 Q86V86 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.36
BRAF P15056 1/20 0.34
TYK2 P29597 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL1803777 0.90 ICOSLG (0.70) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619288 0.90 ICOSLG (0.70) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13349318 0.89 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13847526 0.85 ICOSLG (0.48) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12653329 0.83 ICOSLG (0.48) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13349346 0.83 ICOSLG (0.48) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12653424 0.83 ICOSLG (0.49) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13442369 0.83 ICOSLG (0.48) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12653023 0.82 ICOSLG (0.49) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12653013 0.82 ICOSLG (0.46) ICOSLGICOSCHUKIKBKBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed