SCHEMBL8478199

SCHEMBL8478199

c1ccc(Sc2cnc3[nH]cc(-c4c[nH][nH]4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.47
CDK8 P49336 4/20 0.47
TNIK Q9UKE5 1/20 0.47
JAK2 O60674 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
INSR P06213 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45
IGF1R P08069 1/20 0.45
ROS1 P08922 1/20 0.45
FGFR1 P11362 1/20 0.45
PHKG2 P15735 1/20 0.45
FER P16591 1/20 0.45
FLT1 P17948 1/20 0.45
CDK2 P24941 1/20 0.45

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
SCHEMBL3350898 0.79 MAPK8 (0.52) AXLCDK8TNIKJAK2PLK4
SCHEMBL3346583 0.77 AXL (0.44) AXLCDK8TNIKJAK2PLK4
SCHEMBL13504976 0.76 AXL (0.42) AXLCDK8TNIKJAK2PLK4
SCHEMBL3354820 0.75 ALK (0.60) AXLCDK8TNIKMAPK8
SCHEMBL16587424 0.74 SGK1 (0.71) AXLCDK8TNIKPLK4AURKA
SCHEMBL8942760 0.74 CAMKK2 (0.63) AXLCDK8TNIKPLK4AURKA
SCHEMBL12338414 0.70 PDPK1 (0.40) AXLCDK8TNIKJAK2PLK4
SCHEMBL12338409 0.70 DYRK1A (0.37) AXLCDK8TNIKJAK2PLK4
SCHEMBL12663657 0.69 AXL (0.39) AXLCDK8TNIKJAK2PLK4
SCHEMBL12663655 0.69 AXL (0.44) AXLCDK8TNIKPLK4AURKA

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
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed