SCHEMBL13315672

SCHEMBL13315672

Cc1ccncc1C(=O)N[C@@H](C)CN1CC(C)(C)OCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICOSLG O75144 13/20 0.56
ICOS Q9Y6W8 13/20 0.56
CHUK O15111 14/20 0.47
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
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
SCHEMBL1799816 1.00 ICOSLG (0.56) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619407 0.93 ICOSLG (0.55) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619412 0.92 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13349345 0.92 ICOSLG (0.46) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13442558 0.92 ICOSLG (0.46) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619372 0.91 ICOSLG (0.61) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1800039 0.91 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1800076 0.91 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619404 0.91 ICOSLG (0.53) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13315659 0.91 ICOSLG (0.53) 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-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed