SCHEMBL5337614

SCHEMBL5337614

Fc1cccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.54
CDC7 O00311 2/20 0.49
ROCK2 O75116 2/20 0.49
NPC1 O15118 1/20 0.49
DYRK3 O43781 1/20 0.49
MAP4K4 O95819 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CLK2 P49760 1/20 0.49
RAB9A P51151 1/20 0.49
CSNK2A1 P68400 1/20 0.49
ROCK1 Q13464 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
IMPDH2 P12268 2/20 0.47
KDR P35968 5/20 0.46
VCP P55072 3/20 0.46
FLT1 P17948 4/20 0.46
FLT4 P35916 3/20 0.46
MKNK1 Q9BUB5 2/20 0.44

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
SCHEMBL5335613 0.87 CDC7 (0.58) CDC7ROCK2NPC1RAB9AROCK1
SCHEMBL14465941 0.87 IMPDH2 (0.61) PIK3CADYRK3CLK2ROCK1DYRK1A
SCHEMBL5317045 0.87 VCP (0.63) PIK3CACDC7ROCK2ROCK1DYRK1A
SCHEMBL5343138 0.86 TRPV1 (0.53) CDC7ROCK2ROCK1IMPDH2KDR
SCHEMBL5336680 0.85 IMPDH2 (0.59) PIK3CADYRK3CLK2ROCK1DYRK1A
SCHEMBL5338142 0.84 VCP (0.65) PIK3CAROCK2NPC1RAB9AROCK1
SCHEMBL5340970 0.84 FLT1 (0.61) PIK3CAROCK2IMPDH2KDRVCP
SCHEMBL5319685 0.83 IMPDH2 (0.54) PIK3CACDC7ROCK2DYRK3RPS6KB1
SCHEMBL5318247 0.83 IMPDH2 (0.57) PIK3CACDC7ROCK2ROCK1IMPDH2
SCHEMBL5350220 0.83 VCP (0.67) PIK3CAROCK2NPC1DYRK3MAP4K4

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