SCHEMBL13377022

SCHEMBL13377022

O=C1CC[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)N1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.62
▸ ICOSLG O75144 9/20 0.62
▸ ICOS Q9Y6W8 9/20 0.62
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ IKBKB O14920 1/20 0.57
▸ PIM1 P11309 1/20 0.57
▸ PIM3 Q86V86 1/20 0.57
▸ IKBKG Q9Y6K9 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGDS O60760 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
SCHEMBL14253071 1.00 CHUK (0.62) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL13376960 0.83 CHUK (0.69) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL13377061 0.82 CHUK (0.61) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL1797762 0.80 ICOSLG (0.64) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL3992879 0.79 ICOSLG (0.70) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL1794961 0.78 CHUK (0.62) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL1797661 0.78 CHUK (0.62) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL12619326 0.78 CHUK (0.62) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL3126572 0.78 ICOSLG (0.62) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL13452572 0.78 CHUK (1.00) CHUKICOSLGICOSMEN1KMT2A

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