SCHEMBL1727909

SCHEMBL1727909

C[C@H]1COc2c(NC3CCC(c4cccnc4)CC3)c(F)c(Nc3ccccc3)c3c(=O)c(C#N)cn1c23

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.48
TNKS O95271 1/20 0.33
TOP2A P11388 2/20 0.31
TOP2B Q02880 2/20 0.31

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
SCHEMBL1727910 1.00 GSK3B (0.48) GSK3BTNKSTOP2ATOP2B
SCHEMBL1720692 0.89 GSK3B (0.59) GSK3B
SCHEMBL1724593 0.89 GSK3B (0.59) GSK3B
SCHEMBL3076770 0.89 GSK3B (0.59) GSK3B
SCHEMBL13153667 0.84 GSK3B (0.58) GSK3B
SCHEMBL1724888 0.84 GSK3B (0.58) GSK3B
SCHEMBL1723979 0.81 GSK3B (0.56) GSK3B
SCHEMBL1720882 0.81 GSK3B (0.56) GSK3B
SCHEMBL3091328 0.81 GSK3B (0.56) GSK3B
SCHEMBL3091339 0.81 GSK3B (0.56) GSK3B

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-2406266-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS Kyorin Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
WO-2010104205-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 WO disclosed