SCHEMBL12472349

SCHEMBL12472349

CC(C)(C)OC(=O)NCC[C@H](OCc1ccccc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ CTSS P25774 4/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CTSK P43235 4/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL17786967 0.90 SYK (0.51) SYKIDO1MAPTCTSSPPARA
SCHEMBL17786969 0.90 SYK (0.51) SYKIDO1MAPTCTSSPPARA
SCHEMBL30572143 0.88 SYK (0.52) SYKIDO1MAPTCTSSPPARA
SCHEMBL12471858 0.88 SYK (0.57) SYKIDO1MAPTCTSSPPARA
SCHEMBL21780574 0.84 SYK (0.52) SYKIDO1MAPTCTSSPPARA
SCHEMBL1569320 0.81 SYK (0.50) SYKIDO1MAPTCTSSPPARA
SCHEMBL21460930 0.80 SYK (0.60) SYKIDO1MAPTCTSSPPARA
SCHEMBL20209612 0.80 SYK (0.60) SYKIDO1MAPTCTSSPPARA
SCHEMBL2598790 0.80 SYK (0.59) SYKIDO1MAPTCTSSPPARA
SCHEMBL1568594 0.80 IDO1 (0.50) SYKIDO1MAPTCTSSPPARA

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
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
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