SCHEMBL5318853

SCHEMBL5318853

CC(=O)Nc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.62
ROCK1 Q13464 4/20 0.62
JAK2 O60674 3/20 0.50
KDR P35968 2/20 0.50
PIM1 P11309 2/20 0.50
GSK3B P49841 2/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
PRKCG P05129 1/20 0.50
CDK1 P06493 1/20 0.50
ROS1 P08922 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL5431179 0.87 ROCK2 (0.48) ROCK2ROCK1KDRMAPK1
SCHEMBL5320011 0.87 ROCK2 (0.48) ROCK2ROCK1KDRMAPK1
SCHEMBL5341899 0.87 ROCK2 (0.48) ROCK2ROCK1KDRMAPK1
SCHEMBL5342613 0.86 VCP (0.50) ROCK2ROCK1JAK2KDRPIM1
SCHEMBL5344353 0.86 ROCK2 (0.50) ROCK2ROCK1KDRDYRK1ANPC1
SCHEMBL5333863 0.85 VCP (0.58) ROCK2ROCK1KDRPRKAA1IMPDH2
SCHEMBL5333205 0.85 IMPDH2 (0.53) ROCK2ROCK1KDRIMPDH2VCP
SCHEMBL5319078 0.85 ROCK2 (0.52) ROCK2ROCK1KDRPRKD3MAP4K4
SCHEMBL5336433 0.83 MKNK1 (0.51) ROCK2ROCK1KDRRAB9AIMPDH2
SCHEMBL5336680 0.83 IMPDH2 (0.59) ROCK1KDRGSK3BDYRK3CLK2

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
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed