SCHEMBL1799701

SCHEMBL1799701

COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)C1CCCC1N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 17/20 0.58
▸ ICOSLG O75144 9/20 0.58
▸ ICOS Q9Y6W8 9/20 0.58
▸ IKBKB O14920 2/20 0.58
▸ TYK2 P29597 1/20 0.58
▸ CLK1 P49759 1/20 0.58
▸ CLK2 P49760 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ PI4KB Q9UBF8 1/20 0.58
▸ MEN1 O00255 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ IKBKG Q9Y6K9 1/20 0.38

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
SCHEMBL12619301 1.00 CHUK (0.58) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13315615 0.81 CHUK (0.69) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1794961 0.80 CHUK (0.62) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL1797661 0.78 CHUK (0.62) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL12619326 0.78 CHUK (0.62) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL1796905 0.77 CHUK (0.55) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12619290 0.77 CHUK (0.55) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL2767580 0.76 CHUK (0.74) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12619360 0.76 CHUK (0.68) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253077 0.75 CHUK (0.67) CHUKICOSLGICOSIKBKBTYK2

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
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