SCHEMBL5339857

SCHEMBL5339857

COc1cc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)ccc1OCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
KDR P35968 2/20 0.49
RET P07949 1/20 0.46
SYK P43405 2/20 0.43
TNIK Q9UKE5 1/20 0.42
MAOB P27338 2/20 0.42
IGF1R P08069 1/20 0.42
IMPDH2 P12268 4/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ROCK2 O75116 3/20 0.41
XDH P47989 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
CLK4 Q9HAZ1 1/20 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
SCHEMBL5344443 0.91 KDR (0.59) FLT1FLT4KDRRETSYK
SCHEMBL5334189 0.90 FLT1 (0.52) FLT1FLT4KDRRETSYK
SCHEMBL14466940 0.87 KDR (0.49) FLT1FLT4KDRRETSYK
SCHEMBL5336694 0.86 FLT1 (0.52) FLT1FLT4KDRRETSYK
SCHEMBL5340799 0.86 FLT1 (0.48) FLT1FLT4KDRRETSYK
SCHEMBL14465935 0.86 FLT1 (0.55) FLT1FLT4KDRRETMAOB
SCHEMBL5333896 0.85 KDR (0.44) FLT1FLT4KDRRETTNIK
SCHEMBL5341184 0.84 FLT1 (0.50) FLT1FLT4KDRRETSYK
SCHEMBL5318108 0.84 FLT1 (0.50) FLT1FLT4KDRRETSYK
SCHEMBL5339024 0.84 MAOB (0.47) FLT1FLT4KDRRETSYK

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