SCHEMBL12619492

SCHEMBL12619492

COC(=O)C1(C)CCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 11/20 0.56
▸ ICOS Q9Y6W8 11/20 0.56
▸ CHUK O15111 16/20 0.48
▸ IKBKB O14920 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ IKBKG Q9Y6K9 1/20 0.41
▸ TYK2 P29597 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ PI4KB Q9UBF8 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
SCHEMBL12619510 0.94 ICOSLG (0.54) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL13270059 0.93 ICOSLG (0.57) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12653019 0.93 ICOSLG (0.57) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619663 0.93 ICOSLG (0.57) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619712 0.93 ICOSLG (0.59) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619486 0.93 ICOSLG (0.59) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619488 0.91 ICOSLG (0.58) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619503 0.91 ICOSLG (0.59) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL1798960 0.91 ICOSLG (0.61) ICOSLGICOSCHUKIKBKBMEN1
SCHEMBL12619487 0.90 ICOSLG (0.59) ICOSLGICOSCHUKIKBKBMEN1

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
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
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