SCHEMBL5338142

SCHEMBL5338142

COc1cccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.65
IMPDH2 P12268 3/20 0.57
PIK3CA P42336 1/20 0.56
KDR P35968 7/20 0.56
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 4/20 0.54
FLT1 P17948 4/20 0.53
FLT4 P35916 4/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SYK P43405 1/20 0.50
TNIK Q9UKE5 1/20 0.49
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PRKG1 Q13976 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL5318416 0.88 TNIK (0.60) VCPIMPDH2KDRROCK2ROCK1
SCHEMBL14465941 0.84 IMPDH2 (0.61) VCPIMPDH2PIK3CAKDRROCK1
SCHEMBL5344443 0.84 KDR (0.59) VCPIMPDH2KDRFLT1FLT4
SCHEMBL5337614 0.84 PIK3CA (0.54) VCPIMPDH2PIK3CAKDRROCK2
SCHEMBL5317045 0.84 VCP (0.63) VCPIMPDH2PIK3CAKDRROCK2
SCHEMBL5319685 0.83 IMPDH2 (0.54) VCPIMPDH2PIK3CAKDRROCK2
SCHEMBL5337102 0.82 IMPDH2 (0.54) VCPIMPDH2KDRROCK2ROCK1
SCHEMBL5336680 0.82 IMPDH2 (0.59) VCPIMPDH2PIK3CAKDRROCK1
SCHEMBL5319904 0.82 FLT1 (0.57) IMPDH2KDRFLT1FLT4NPC1
SCHEMBL5433991 0.82 RAF1 (0.52) VCPIMPDH2KDRFLT1FLT4

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