SCHEMBL12619694

SCHEMBL12619694

CC1(C)CN(CC(=O)N2CCC(N)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

nearest known ligand 0.58

Predicted protein targets (top 11)

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
▸ CHEK1 O14757 1/20 0.33
▸ CHEK2 O96017 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
SCHEMBL13270202 1.00 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619438 0.94 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1811915 0.94 ICOSLG (0.59) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619689 0.93 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653119 0.93 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619727 0.93 ICOSLG (0.58) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1798960 0.93 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619606 0.93 ICOSLG (0.56) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619437 0.92 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1800507 0.92 ICOSLG (0.57) 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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