SCHEMBL13377072

SCHEMBL13377072

COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.65
▸ ICOSLG O75144 8/20 0.65
▸ ICOS Q9Y6W8 8/20 0.65
▸ IKBKB O14920 2/20 0.65
▸ TYK2 P29597 1/20 0.65
▸ CLK1 P49759 1/20 0.65
▸ CLK2 P49760 1/20 0.65
▸ DYRK1A Q13627 1/20 0.65
▸ CLK4 Q9HAZ1 1/20 0.65
▸ PI4KB Q9UBF8 1/20 0.65
▸ MEN1 O00255 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ IKBKG Q9Y6K9 1/20 0.48
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL14253077 0.91 CHUK (0.67) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL12619360 0.88 CHUK (0.68) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253080 0.86 CHUK (0.69) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL2767580 0.86 CHUK (0.74) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13442718 0.83 CHUK (0.65) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13315615 0.83 CHUK (0.69) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13377085 0.82 CHUK (0.66) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL2768231 0.79 CHUK (0.78) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL1420073 0.79 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1801372 0.79 ICOSLG (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268477-B1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2010-04-21 — — EP disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
Send feedback