SCHEMBL20189564

SCHEMBL20189564

O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(NCCc2cc(F)cc(F)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.65
GSK3A P49840 16/20 0.65
MAPT P10636 2/20 0.48
JAK2 O60674 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
TYK2 P29597 1/20 0.44
SYK P43405 1/20 0.44
CDK5 Q00535 1/20 0.44
PRKCQ Q04759 1/20 0.44
AURKB Q96GD4 1/20 0.44
ATR Q13535 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
SCHEMBL20204977 0.86 GSK3B (0.67) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205100 0.85 GSK3B (0.69) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205114 0.84 GSK3B (0.75) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189134 0.83 GSK3B (0.74) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189581 0.83 GSK3B (0.72) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205110 0.83 GSK3A (0.79) GSK3BGSK3AMAPTATR
SCHEMBL20205174 0.82 GSK3B (0.79) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189563 0.82 GSK3B (0.64) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20189392 0.82 GSK3A (0.85) GSK3BGSK3AMAPTJAK2PIM1
SCHEMBL20205171 0.81 GSK3B (0.76) 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-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed