SCHEMBL14253072

SCHEMBL14253072

O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.74
▸ ICOSLG O75144 12/20 0.74
▸ ICOS Q9Y6W8 12/20 0.74
▸ IKBKB O14920 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ PIM1 P11309 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ PIM3 Q86V86 1/20 0.71
▸ IKBKG Q9Y6K9 1/20 0.71
▸ TYK2 P29597 1/20 0.53
▸ CLK1 P49759 1/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53

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
SCHEMBL14253063 0.85 CHUK (1.00) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL13376947 0.84 ICOSLG (0.74) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL1420453 0.83 CHUK (1.00) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL29359984 0.83 CHUK (1.00) CHUKICOSLGICOSIKBKBMEN1
Hydrochloric Acid SCHEMBL12471533 0.82 CHUK (0.98) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL13377079 0.82 CHUK (0.82) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL14253037 0.82 CHUK (1.00) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL13377038 0.82 CHUK (1.00) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL13376959 0.81 CHUK (0.89) CHUKICOSLGICOSIKBKBMEN1
SCHEMBL2768947 0.79 CHUK (0.78) CHUKICOSLGICOSIKBKBMEN1

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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