SCHEMBL12619802

SCHEMBL12619802

CCN(Cc1ccncc1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 11/20 0.57
▸ ICOS Q9Y6W8 11/20 0.57
▸ CHUK O15111 12/20 0.48
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ IKBKG Q9Y6K9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ MRGPRX1 Q96LB2 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34

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
SCHEMBL12619515 0.96 ICOSLG (0.55) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619440 0.94 ICOSLG (0.61) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1801702 0.94 ICOSLG (0.61) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619716 0.91 ICOSLG (0.57) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619478 0.90 ICOSLG (0.60) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619476 0.89 ICOSLG (0.63) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12653368 0.88 ICOSLG (0.45) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL12619695 0.87 ICOSLG (0.56) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1800072 0.86 ICOSLG (0.65) ICOSLGICOSCHUKMEN1KMT2A
SCHEMBL1800079 0.86 ICOSLG (0.65) ICOSLGICOSCHUKMEN1KMT2A

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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