SCHEMBL12619585

SCHEMBL12619585

CC1(C)CN(CC(=O)NC2CCNCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.58
▸ ICOS Q9Y6W8 10/20 0.58
▸ CHUK O15111 15/20 0.49
▸ MEN1 O00255 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ IKBKG Q9Y6K9 1/20 0.43
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33

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
SCHEMBL12619470 0.94 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619449 0.93 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1801022 0.93 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653021 0.93 ICOSLG (0.60) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653364 0.92 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619485 0.92 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13268881 0.92 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619598 0.92 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619531 0.91 ICOSLG (0.56) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619750 0.90 ICOSLG (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 — — EP disclosed
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