SCHEMBL5337093

SCHEMBL5337093

COc1ccc(CCOc2ccc(-c3cnc(Nc4ccc5[nH]ncc5c4)o3)cc2OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PRKG1 Q13976 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TNIK Q9UKE5 1/20 0.47
IMPDH2 P12268 2/20 0.46
KDR P35968 3/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
MAOB P27338 4/20 0.44
RET P07949 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
VCP P55072 1/20 0.40
SYK P43405 2/20 0.40

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
SCHEMBL5316994 0.93 KDR (0.46) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL14466940 0.89 KDR (0.49) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5344443 0.87 KDR (0.59) TNIKIMPDH2KDRFLT1FLT4
SCHEMBL5334189 0.86 FLT1 (0.52) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5340799 0.85 FLT1 (0.48) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5318416 0.85 TNIK (0.60) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5341184 0.84 FLT1 (0.50) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5318108 0.84 FLT1 (0.50) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5334570 0.84 KDR (0.44) ROCK2ROCK1GSK3AGSK3BPRKG1
SCHEMBL5339024 0.84 MAOB (0.47) ROCK2ROCK1GSK3AGSK3BPRKG1

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