SCHEMBL20190925

SCHEMBL20190925

CCCCC1CCC(Nc2nccc(C(=O)Nc3cnccc3OCC(F)(F)F)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.62
GSK3A P49840 13/20 0.62
MAPT P10636 4/20 0.46
ATR Q13535 3/20 0.42

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
SCHEMBL20205158 0.92 GSK3B (0.71) GSK3BGSK3AMAPTATR
SCHEMBL20205058 0.89 GSK3B (0.69) GSK3BGSK3AMAPTATR
SCHEMBL20205202 0.89 GSK3B (0.69) GSK3BGSK3AMAPTATR
SCHEMBL20204938 0.88 GSK3B (0.64) GSK3BGSK3AMAPTATR
SCHEMBL20205198 0.88 GSK3B (0.68) GSK3BGSK3AMAPTATR
SCHEMBL20204987 0.86 GSK3B (0.64) GSK3BGSK3AMAPTATR
SCHEMBL20189758 0.86 GSK3B (0.66) GSK3BGSK3AMAPTATR
SCHEMBL20190762 0.83 GSK3B (0.64) GSK3BGSK3AMAPTATR
SCHEMBL20204995 0.82 GSK3B (0.70) GSK3BGSK3AMAPTATR
SCHEMBL20190395 0.82 GSK3B (0.62) GSK3BGSK3AMAPTATR

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