SCHEMBL12619799

SCHEMBL12619799

CCN(CC)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cncc(F)c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 7/20 0.45
▸ ICOS Q9Y6W8 7/20 0.45
▸ CHUK O15111 8/20 0.36
▸ MEN1 O00255 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ IKBKG Q9Y6K9 1/20 0.31
▸ LMNA P02545 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
SCHEMBL12653191 0.91 ICOSLG (0.35) ICOSLGICOS
SCHEMBL1801702 0.87 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619440 0.87 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619474 0.86 ICOSLG (0.44) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619473 0.86 ICOSLG (0.44) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619673 0.85 ICOSLG (0.43) ICOSLGICOSCHUK
SCHEMBL1810096 0.84 ICOSLG (0.45) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619716 0.82 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619802 0.82 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619515 0.81 ICOSLG (0.55) 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 2 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
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 — — EP disclosed
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