SCHEMBL1229059

SCHEMBL1229059

CCNC(=O)N(c1ccc2[nH]ncc2c1)c1c(NCc2cccc(O)c2)c(=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.49
ROCK1 Q13464 9/20 0.49
JAK2 O60674 3/20 0.49
KDR P35968 3/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
AKT2 P31751 2/20 0.49
PIM3 Q86V86 2/20 0.49
PBK Q96KB5 2/20 0.49
GSK3B P49841 2/20 0.49
PRKG1 Q13976 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
MAPK1 P28482 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
CHEK2 O96017 2/20 0.49
PRKACA P17612 2/20 0.49
RPS6KA3 P51812 2/20 0.49
PRKCD Q05655 2/20 0.49
PRKAA1 Q13131 2/20 0.49
DYRK1A Q13627 2/20 0.49

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
SCHEMBL1228819 0.84 ROCK2 (0.45) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1229167 0.74 ROCK2 (0.75) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1228817 0.69 JAK2 (0.34) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL4598150 0.68 PRKD3 (0.45) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1229918 0.64 ROCK1 (0.55) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1229136 0.63 ROCK2 (0.71) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1230417 0.63 ROCK2 (0.80) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1230054 0.62 ROCK2 (0.51) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL1230376 0.62 ROCK1 (0.53) ROCK2ROCK1JAK2KDRPRKD3
SCHEMBL5442402 0.62 MAOB (0.74) ROCK2ROCK1PRKD3MAP4K4GSK3B

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-2459184-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES The Brigham and Women's Hospital, Inc. (US) 2012-06-06 EP claimed
WO-2011014775-A1 MODULATION OF SGK1 EXPRESSION IN TH17 CELLS TO MODULATE TH17-MEDIATED IMMUNE RESPONSES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-03 WO claimed