SCHEMBL5806595

SCHEMBL5806595

O=[N+]([O-])c1cnc(NC2CCC(O)CC2)nc1NC1CCC(O)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.74
GSK3A P49840 3/20 0.74
MAPK8 P45983 8/20 0.50
MAPK9 P45984 5/20 0.49
TYRO3 Q06418 5/20 0.47
MERTK Q12866 5/20 0.47
AXL P30530 4/20 0.47
FLT3 P36888 2/20 0.47
GAS6 Q14393 2/20 0.47
PRKCQ Q04759 1/20 0.47
MAPK10 P53779 2/20 0.45
CDK2 P24941 1/20 0.45
MAPK3 P27361 1/20 0.43

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
SCHEMBL385263 0.96 GSK3A (0.70) GSK3BGSK3AMAPK8MAPK9TYRO3
SCHEMBL385264 0.96 GSK3A (0.70) GSK3BGSK3AMAPK8MAPK9TYRO3
SCHEMBL17544767 0.93 GSK3B (0.64) GSK3BGSK3AMAPK8PRKCQCDK2
SCHEMBL6890352 0.91 GSK3A (0.64) GSK3BGSK3AMAPK8MAPK9TYRO3
SCHEMBL14685715 0.91 GSK3A (0.64) GSK3BGSK3AMAPK8MAPK9TYRO3
SCHEMBL1961567 0.91 GSK3A (0.64) GSK3BGSK3AMAPK8MAPK9TYRO3
SCHEMBL14589028 0.85 GSK3A (0.57) GSK3BGSK3AMAPK8MAPK9AXL
SCHEMBL1265078 0.85 GSK3A (0.57) GSK3BGSK3AMAPK8MAPK9AXL
SCHEMBL1265079 0.85 GSK3A (0.57) GSK3BGSK3AMAPK8MAPK9AXL
SCHEMBL5806770 0.84 GSK3A (0.82) GSK3BGSK3AMAPK8MAPK9TYRO3

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-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO claimed
WO-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO disclosed