SCHEMBL12619636

SCHEMBL12619636

CC1(C)CN(CC(=O)N2CCCC(C(N)=O)C2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.54
▸ ICOS Q9Y6W8 10/20 0.54
▸ CHUK O15111 12/20 0.46
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ IKBKG Q9Y6K9 1/20 0.40
▸ POLB P06746 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
SCHEMBL12619689 0.92 ICOSLG (0.57) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619624 0.92 ICOSLG (0.56) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619639 0.92 ICOSLG (0.56) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL1800310 0.91 ICOSLG (0.60) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619545 0.91 ICOSLG (0.52) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619566 0.91 ICOSLG (0.52) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619653 0.91 ICOSLG (0.52) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL1798960 0.91 ICOSLG (0.61) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619613 0.89 ICOSLG (0.58) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619569 0.89 ICOSLG (0.57) ICOSLGICOSCHUKKMT2AMEN1

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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