SCHEMBL13152575

SCHEMBL13152575

CCCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.43
SGK1 O00141 1/20 0.41
PLK4 O00444 1/20 0.41
DCLK1 O15075 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
ROS1 P08922 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
AKT1 P31749 1/20 0.41
KDR P35968 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL13152585 0.94 DYRK1A (0.44) DYRK1ASGK1PLK4DAPK3DYRK3
SCHEMBL13152695 0.94 DYRK1A (0.42) DYRK1ASGK1PLK4DCLK1DAPK3
SCHEMBL13152602 0.93 DYRK1A (0.43) DYRK1ASGK1PDE5ANPC1CNR2
SCHEMBL13152362 0.91 GRIK2 (0.43) DYRK1ASGK1PLK4DCLK1DAPK3
SCHEMBL13152583 0.90 DYRK1A (0.44) DYRK1APDE5ANPC1PGRCNR2
SCHEMBL13152458 0.89 DYRK1A (0.41) DYRK1ASGK1PLK4DCLK1DAPK3
SCHEMBL13152062 0.88 DYRK1A (0.43) DYRK1ASGK1PLK4DAPK3DYRK3
SCHEMBL13152144 0.88 DYRK1A (0.40) DYRK1ASGK1PLK4DCLK1DAPK3
SCHEMBL13152633 0.88 DYRK1A (0.42) DYRK1APDE5ANPC1PGRCNR2
SCHEMBL13151948 0.86 GRIK2 (0.42) DYRK1ASGK1PLK4DCLK1DAPK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed