SCHEMBL5333863

SCHEMBL5333863

Oc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 7/20 0.58
TNIK Q9UKE5 2/20 0.58
PIK3CA P42336 1/20 0.52
IMPDH2 P12268 2/20 0.47
ALOX5 P09917 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MAPKAPK2 P49137 1/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
FLT4 P35916 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PRKAB2 O43741 1/20 0.43
LCK P06239 1/20 0.43
SRC P12931 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL5339924 0.88 MKNK1 (0.57) VCPTNIKPIK3CAIMPDH2ALOX5
SCHEMBL5343891 0.88 VCP (0.58) VCPTNIKIMPDH2MKNK1MAPKAPK2
SCHEMBL5316809 0.88 NOS1 (0.48) VCPTNIKIMPDH2MKNK1MAPKAPK2
SCHEMBL5336680 0.88 IMPDH2 (0.59) VCPPIK3CAIMPDH2FLT1KDR
SCHEMBL5333205 0.88 IMPDH2 (0.53) VCPTNIKIMPDH2ALOX5MKNK1
SCHEMBL5335613 0.88 CDC7 (0.58) VCPTNIKIMPDH2ALOX5MKNK1
SCHEMBL5336433 0.88 MKNK1 (0.51) VCPTNIKIMPDH2MKNK1MAPKAPK2
SCHEMBL14465941 0.88 IMPDH2 (0.61) VCPPIK3CAIMPDH2FLT1KDR
SCHEMBL5374741 0.87 FLT1 (0.54) VCPTNIKIMPDH2MKNK1MAPKAPK2
SCHEMBL5342613 0.86 VCP (0.50) VCPTNIKIMPDH2MAPKAPK2FLT1

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