SCHEMBL12619673

SCHEMBL12619673

C[C@@H]1CN(C(=O)CN2CC(C)(C)OCC2C(=O)Nc2cc(Cl)cc3c2[nH]c2cncc(F)c23)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 3/20 0.43
▸ ICOS Q9Y6W8 3/20 0.43
▸ CHUK O15111 5/20 0.34
▸ POLB P06746 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
SCHEMBL12619474 0.90 ICOSLG (0.44) ICOSLGICOSCHUK
SCHEMBL12619473 0.90 ICOSLG (0.44) ICOSLGICOSCHUK
Mln-0415 SCHEMBL30489865 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL12619648 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL3805697 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL12619680 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL1798964 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL13270227 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL3805703 0.88 ICOSLG (0.59) ICOSLGICOSCHUK
Mln-0415 SCHEMBL3809102 0.87 ICOSLG (0.58) ICOSLGICOSCHUK

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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