SCHEMBL20190288

SCHEMBL20190288

O=C(Nc1cnccc1OCC(F)(F)F)c1ccnc(NCCC23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.62
GSK3A P49840 14/20 0.62
MAPT P10636 2/20 0.44
ATR Q13535 3/20 0.42
JAK2 O60674 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
TYK2 P29597 1/20 0.38
SYK P43405 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCQ Q04759 1/20 0.38
AURKB Q96GD4 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL20205114 0.84 GSK3B (0.75) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20205207 0.83 GSK3B (0.61) GSK3BGSK3AMAPTATR
SCHEMBL20204995 0.82 GSK3B (0.70) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20189134 0.81 GSK3B (0.74) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20205158 0.80 GSK3B (0.71) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20205171 0.79 GSK3B (0.76) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20205110 0.79 GSK3A (0.79) GSK3BGSK3AMAPTATR
SCHEMBL20189564 0.79 GSK3B (0.65) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20205058 0.78 GSK3B (0.69) GSK3BGSK3AMAPTATRJAK2
SCHEMBL20205202 0.78 GSK3B (0.69) GSK3BGSK3AMAPTATRJAK2

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