SCHEMBL13376950

SCHEMBL13376950

O=C(COc1ccccc1)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 12/20 0.69
▸ ICOSLG O75144 11/20 0.69
▸ ICOS Q9Y6W8 11/20 0.69
▸ MEN1 O00255 1/20 0.61
▸ IKBKB O14920 1/20 0.61
▸ PIM1 P11309 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ PIM3 Q86V86 1/20 0.61
▸ IKBKG Q9Y6K9 1/20 0.61
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13377077 0.86 CHUK (0.66) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253007 0.85 CHUK (0.76) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13377041 0.82 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253036 0.82 CHUK (0.77) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253037 0.81 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253063 0.80 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13377082 0.80 CHUK (0.72) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253069 0.79 CHUK (0.72) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253043 0.79 CHUK (0.72) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253042 0.79 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB

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
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