SCHEMBL5337884

SCHEMBL5337884

c1cc2[nH]ncc2cc1Nc1ncc(-c2ccc3c(c2)OCO3)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
KDR P35968 3/20 0.43
CLK2 P49760 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
CLK1 P49759 1/20 0.42
MKNK1 Q9BUB5 3/20 0.41
IMPDH2 P12268 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
TNIK Q9UKE5 2/20 0.40
CDC7 O00311 1/20 0.40
PIK3CA P42336 2/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38

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
SCHEMBL5339243 0.94 SYK (0.56) SYKROCK2ROCK1KDRCLK2
SCHEMBL5333745 0.92 SYK (0.52) SYKROCK2ROCK1KDRMKNK1
SCHEMBL14465943 0.91 SYK (0.53) SYKROCK2ROCK1KDRMKNK1
SCHEMBL5334521 0.85 SYK (0.46) SYKROCK2ROCK1KDRDYRK1A
SCHEMBL5339924 0.81 MKNK1 (0.57) ROCK2ROCK1KDRMKNK1IMPDH2
SCHEMBL5319685 0.81 IMPDH2 (0.54) ROCK2ROCK1KDRCLK2DYRK1A
SCHEMBL5340647 0.81 KDR (0.54) ROCK2ROCK1KDRCLK2DYRK1A
SCHEMBL5336433 0.81 MKNK1 (0.51) ROCK2ROCK1KDRMKNK1IMPDH2
SCHEMBL5335613 0.81 CDC7 (0.58) ROCK2ROCK1KDRMKNK1IMPDH2
SCHEMBL5333205 0.81 IMPDH2 (0.53) ROCK2ROCK1KDRMKNK1IMPDH2

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