SCHEMBL20205044

SCHEMBL20205044

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(NC2CCOC2)n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.64
GSK3A P49840 19/20 0.64
MAPT P10636 2/20 0.57
JAK2 O60674 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
TYK2 P29597 1/20 0.52
SYK P43405 1/20 0.52
CDK5 Q00535 1/20 0.52
PRKCQ Q04759 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL20205089 0.95 GSK3B (0.62) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL29939473 0.95 GSK3B (0.62) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205027 0.94 GSK3B (0.67) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL29939275 0.94 GSK3B (0.67) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20190041 0.87 GSK3B (0.69) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205182 0.83 GSK3A (0.64) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL29939514 0.83 GSK3A (0.64) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL29939539 0.80 GSK3A (0.74) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205102 0.80 GSK3A (0.74) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20204943 0.79 GSK3A (0.69) GSK3BGSK3AMAPTJAK2PIM1

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
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed