SCHEMBL3977697

SCHEMBL3977697

O=C1O[C@]2(CCNC2)c2ccnc(C(=O)C3(c4ccc(N5CCC(F)(F)C5)nc4)CC3)c21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.35
DYRK1A Q13627 3/20 0.35
HDAC1 Q13547 5/20 0.34
KCNH2 Q12809 3/20 0.34
HSD11B1 P28845 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC2 Q92769 1/20 0.32
CLK3 P49761 1/20 0.31
CACNA1H O95180 4/20 0.31
MAP3K12 Q12852 2/20 0.31
DLK1 P80370 1/20 0.30
DRG1 Q9Y295 1/20 0.30
KLKB1 P03952 1/20 0.30
KLK1 P06870 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
SCHEMBL3972514 0.90 MGLL (0.33) HSD11B1ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL3973238 0.84 GRIN2D (0.37) HDAC1KCNH2
SCHEMBL3977568 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL3970810 0.78 AKT1 (0.32) HSD11B1ALDH1A1
SCHEMBL3099585 0.77 HSD11B1 (0.39) HSD11B1
SCHEMBL2973860 0.77 HSD11B1 (0.31) HSD11B1
SCHEMBL3970823 0.77 MAPT (0.36) HSD11B1ALDH1A1
SCHEMBL3976276 0.77 HSD11B1 (0.37) HDAC1KCNH2HSD11B1
SCHEMBL3907137 0.76 PDE2A (0.32)
SCHEMBL3972108 0.76 HSD11B1 (0.33) HSD11B1ALDH1A1

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
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed