SCHEMBL5805875

SCHEMBL5805875

FC(F)(F)c1cnc(Cl)nc1NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ GABBR2 O75899 1/20 0.46
▸ GABBR1 Q9UBS5 1/20 0.46
▸ ULK1 O75385 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PRKCQ Q04759 1/20 0.31
▸ ULK2 Q8IYT8 1/20 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
SCHEMBL30861017 0.73 ULK1 (0.49) ULK1KMT2AULK2
SCHEMBL27227925 0.73 ULK1 (0.49) ULK1KMT2AULK2
SCHEMBL27227803 0.72 ULK1 (0.44) GABBR2GABBR1ULK1KMT2AULK2
SCHEMBL30860901 0.72 ULK1 (0.44) GABBR2GABBR1ULK1KMT2AULK2
SCHEMBL12985293 0.72 GSK3A (0.41) GSK3AGSK3BGABBR2GABBR1HDAC3
SCHEMBL1935005 0.72 ULK1 (0.61) ULK1KMT2AULK2
SCHEMBL19313030 0.72 GABBR2 (0.40) GSK3AGSK3BGABBR2GABBR1ULK1
SCHEMBL1935075 0.71 ULK1 (0.43) ULK1KMT2ACYP1A2LRRK2ULK2
SCHEMBL11915897 0.71 GSK3A (0.48) GSK3AGSK3BULK1ULK2
SCHEMBL11919347 0.71 GSK3A (0.48) GSK3AGSK3BULK1ULK2

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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