SCHEMBL5340647

SCHEMBL5340647

Clc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
MAOB P27338 2/20 0.48
VCP P55072 2/20 0.44
ROCK2 O75116 5/20 0.44
DYRK1A Q13627 5/20 0.44
CLK2 P49760 4/20 0.44
ROCK1 Q13464 4/20 0.44
CLK4 Q9HAZ1 4/20 0.44
RPS6KA3 P51812 3/20 0.44
PRKCD Q05655 3/20 0.44
PRKAA1 Q13131 3/20 0.44
CDC42BPA Q5VT25 3/20 0.44
AURKB Q96GD4 3/20 0.44
PRKD2 Q9BZL6 3/20 0.44
DYRK3 O43781 2/20 0.44
PRKD3 O94806 2/20 0.44
PRKCG P05129 2/20 0.44
RPS6KB1 P23443 2/20 0.44
MARK3 P27448 2/20 0.44
MAPK1 P28482 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
SCHEMBL5343891 0.88 VCP (0.58) KDRVCPROCK2DYRK1ACLK2
SCHEMBL5317045 0.85 VCP (0.63) KDRVCPROCK2DYRK1AROCK1
SCHEMBL5339924 0.84 MKNK1 (0.57) KDRVCPROCK2ROCK1PRKAA1
SCHEMBL5319685 0.84 IMPDH2 (0.54) KDRVCPROCK2DYRK1ACLK2
SCHEMBL5333205 0.84 IMPDH2 (0.53) KDRVCPROCK2ROCK1MKNK1
SCHEMBL5336433 0.84 MKNK1 (0.51) KDRVCPROCK2ROCK1SIRT7
SCHEMBL5336680 0.84 IMPDH2 (0.59) KDRVCPDYRK1ACLK2ROCK1
SCHEMBL5335613 0.84 CDC7 (0.58) KDRMAOBVCPROCK2ROCK1
SCHEMBL5316809 0.84 NOS1 (0.48) KDRVCPROCK2ROCK1CLK4
SCHEMBL5333863 0.84 VCP (0.58) KDRVCPROCK2ROCK1PRKAA1

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