SCHEMBL12619545

SCHEMBL12619545

CCOC(=O)C1CCCN(C(=O)CN2CC(C)(C)OC[C@H]2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 8/20 0.52
▸ ICOS Q9Y6W8 8/20 0.52
▸ POLB P06746 2/20 0.44
▸ CHUK O15111 9/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ IKBKG Q9Y6K9 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL12619636 0.91 ICOSLG (0.54) ICOSLGICOSPOLBCHUKKMT2A
SCHEMBL12619653 0.90 ICOSLG (0.52) ICOSLGICOSPOLBCHUKKMT2A
SCHEMBL12619639 0.89 ICOSLG (0.56) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619624 0.89 ICOSLG (0.56) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL1800310 0.89 ICOSLG (0.60) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL12619566 0.89 ICOSLG (0.52) ICOSLGICOSPOLBCHUKKMT2A
SCHEMBL12619518 0.89 ICOSLG (0.57) ICOSLGICOSCHUKKMT2AALDH1A1
SCHEMBL1798960 0.88 ICOSLG (0.61) ICOSLGICOSCHUKKMT2AMEN1
SCHEMBL1798347 0.87 ICOSLG (0.56) ICOSLGICOSCHUKKMT2AALDH1A1
SCHEMBL12619445 0.87 ICOSLG (0.56) ICOSLGICOSCHUKKMT2AALDH1A1

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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