SCHEMBL27770720

SCHEMBL27770720

CC(C)(C)OC(=O)NCC(N)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
KDM4A O75164 1/20 0.40
DRD2 P14416 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL2439786 0.85 ADRB2 (0.58) SYKADRB2ADRB1CYP2D6NFKB1
SCHEMBL8242919 0.84 DRD2 (0.48) SYKPOLBIDO1MALT1KDM4A
SCHEMBL256636 0.83 SYK (0.44) SYKADRB2ADRB1CYP2D6NFKB1
SCHEMBL23011458 0.83 SYK (0.44) SYKADRB2ADRB1CYP2D6NFKB1
SCHEMBL12679224 0.82 CTSS (0.46) SYKADRB2ADRB1MALT1MEN1
SCHEMBL29848484 0.81 PTGFR (0.46) SYKADRB2ADRB1CYP2D6NFKB1
SCHEMBL21609310 0.81 PTGFR (0.46) SYKADRB2ADRB1CYP2D6NFKB1
SCHEMBL1624872 0.80 CTSK (0.51) SYKATMIDO1MALT1MEN1
SCHEMBL2727399 0.80 CTSK (0.51) SYKATMIDO1MALT1MEN1
SCHEMBL3640547 0.80 CTSK (0.51) SYKATMIDO1MALT1MEN1

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
CN-101646427-B Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2013-06-12 CN disclosed
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 CN disclosed