SCHEMBL13349318

SCHEMBL13349318

CCCN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(I)cc2c1[nH]c1cnccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.53
▸ ICOS Q9Y6W8 10/20 0.53
▸ CHUK O15111 13/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ IKBKG Q9Y6K9 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAPT P10636 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ BRAF P15056 1/20 0.30

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
SCHEMBL13315655 0.91 ICOSLG (0.65) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653318 0.89 ICOSLG (0.56) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847526 0.89 ICOSLG (0.48) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653329 0.86 ICOSLG (0.48) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13349346 0.85 ICOSLG (0.48) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13442369 0.85 ICOSLG (0.48) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653424 0.85 ICOSLG (0.49) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653023 0.85 ICOSLG (0.49) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653368 0.84 ICOSLG (0.45) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653020 0.83 ICOSLG (0.46) ICOSLGICOSCHUKMEN1IKBKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
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