SCHEMBL13377082

SCHEMBL13377082

O=C(Cc1cccnc1)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 12/20 0.72
▸ ICOSLG O75144 10/20 0.72
▸ ICOS Q9Y6W8 10/20 0.72
▸ MEN1 O00255 1/20 0.69
▸ IKBKB O14920 1/20 0.69
▸ PIM1 P11309 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ PIM3 Q86V86 1/20 0.69
▸ IKBKG Q9Y6K9 1/20 0.69
▸ PARP14 Q460N5 1/20 0.58
▸ ROCK2 O75116 3/20 0.56

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
SCHEMBL13377041 0.84 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253036 0.84 CHUK (0.77) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13376948 0.83 CHUK (0.68) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13377077 0.82 CHUK (0.66) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL29359984 0.82 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1420453 0.82 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253069 0.81 CHUK (0.72) CHUKICOSLGICOSMEN1IKBKB
Hydrochloric Acid SCHEMBL12471533 0.81 CHUK (0.98) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253043 0.81 CHUK (0.72) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253007 0.81 CHUK (0.76) 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
Send feedback