SCHEMBL5807653

SCHEMBL5807653

CC(C)CNN(C(=O)CCCCCl)c1ccnc(C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.35
FGFR4 P22455 1/20 0.35
GPR4 P46093 1/20 0.30

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
SCHEMBL5792562 0.83 CTSK (0.45) CTSKFGFR4
SCHEMBL5791587 0.82 MEN1 (0.36) CTSKFGFR4
SCHEMBL5793909 0.80 CTSK (0.41) CTSKFGFR4GPR4
SCHEMBL5794212 0.80 HPGD (0.41) CTSKFGFR4GPR4
SCHEMBL5793159 0.78 CTSK (0.36) CTSKFGFR4GPR4
SCHEMBL5791288 0.78 MAPK14 (0.43) CTSKFGFR4
SCHEMBL5792625 0.77 CTSK (0.37) CTSKFGFR4GPR4
Trifluoroacetic Acid SCHEMBL5793434 0.76 CTSK (0.44) CTSKFGFR4
SCHEMBL5791044 0.75 CTSK (0.45) CTSKFGFR4GPR4
Trifluoroacetic Acid SCHEMBL5808826 0.75 CTSK (0.37) CTSK

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-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 WO disclosed