SCHEMBL13847833

SCHEMBL13847833

O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)[C@@H]1COCCN1CC1=NCCCN1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.49
▸ ICOS Q9Y6W8 10/20 0.49
▸ CHUK O15111 16/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ IKBKB O14920 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ IKBKG Q9Y6K9 1/20 0.45

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
SCHEMBL13847505 0.88 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847516 0.86 ICOSLG (0.55) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847716 0.86 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847315 0.86 ICOSLG (0.53) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847668 0.86 ICOSLG (0.53) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847313 0.85 ICOSLG (0.48) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847822 0.85 CHUK (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13847910 0.84 ICOSLG (0.51) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1800321 0.84 ICOSLG (0.54) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619321 0.84 ICOSLG (0.54) 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
WO-2009067233-A1 BETA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-28 — — WO disclosed
Send feedback