SCHEMBL14253063

SCHEMBL14253063

O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 14/20 1.00
▸ ICOSLG O75144 11/20 1.00
▸ ICOS Q9Y6W8 11/20 1.00
▸ MEN1 O00255 1/20 0.73
▸ IKBKB O14920 1/20 0.73
▸ PIM1 P11309 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ PIM3 Q86V86 1/20 0.73
▸ IKBKG Q9Y6K9 1/20 0.73

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
SCHEMBL13377079 0.90 CHUK (0.82) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253037 0.88 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253072 0.85 CHUK (0.74) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13377038 0.85 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL29359984 0.84 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1420453 0.84 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13377041 0.84 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13376959 0.84 CHUK (0.89) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13376947 0.84 ICOSLG (0.74) CHUKICOSLGICOSMEN1IKBKB
Hydrochloric Acid SCHEMBL12471533 0.83 CHUK (0.98) 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 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
Send feedback