SCHEMBL14253068

SCHEMBL14253068

COc1c(N)cc2c([nH]c3cnccc32)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 17/20 0.76
▸ ICOSLG O75144 4/20 0.45
▸ ICOS Q9Y6W8 4/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45

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
SCHEMBL14253008 0.86 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30342051 0.82 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1796756 0.82 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253067 0.79 CHUK (0.68) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253050 0.76 CHUK (0.78) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1798632 0.76 CHUK (1.00) CHUKICOSLGICOSIKBKB
SCHEMBL14253006 0.75 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253061 0.75 CHUK (0.74) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253030 0.75 CHUK (0.63) CHUKICOSLGICOSIKBKBDYRK1A
SCHEMBL2768695 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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