SCHEMBL5806420

SCHEMBL5806420

OC12CC3CC(C1)CC(Nc1nc(Cl)ncc1Cl)(C3)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 7/20 0.65
▸ GSK3B P49841 6/20 0.65
▸ AURKA O14965 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL5806176 0.87 GSK3A (0.63) GSK3AGSK3BAURKAADORA3ADORA1
SCHEMBL5806156 0.87 GSK3A (0.63) GSK3AGSK3BAURKAADORA3ADORA1
SCHEMBL23618787 0.84 GSK3A (0.49) GSK3AGSK3BAURKAADORA3ADORA1
SCHEMBL5805693 0.82 GSK3A (0.66) GSK3AGSK3BAURKAADORA3ADORA1
SCHEMBL5804955 0.80 GSK3A (1.00) GSK3AGSK3BAURKA
SCHEMBL23618785 0.78 GSK3A (0.44) GSK3AGSK3BAURKAADORA3ADORA1
SCHEMBL2716949 0.71 HSD11B1 (0.41) GSK3AGSK3B
SCHEMBL23618686 0.71 GSK3A (0.37) GSK3AGSK3BAURKA
SCHEMBL5805875 0.70 GSK3A (0.47) GSK3AGSK3BMEN1KMT2AL3MBTL1
SCHEMBL2910789 0.67 KMT2A (0.38) GSK3AGSK3BKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 — — WO disclosed
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