SCHEMBL5791044

SCHEMBL5791044

CC(C)CNN(C(=O)C(C)(C)c1ccccc1)c1ccnc(C#N)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.45
CTSL P07711 3/20 0.34
FGFR4 P22455 1/20 0.34
GPR4 P46093 1/20 0.33
CTSS P25774 4/20 0.32
MAPK14 Q16539 2/20 0.32
CTSB P07858 2/20 0.31
CTSC P53634 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL5791288 0.83 MAPK14 (0.43) CTSKFGFR4MAPK14
Trifluoroacetic Acid SCHEMBL5790648 0.80 CTSK (0.44) CTSKCTSLGPR4CTSSCTSB
SCHEMBL5792562 0.80 CTSK (0.45) CTSKCTSLFGFR4CTSS
Trifluoroacetic Acid SCHEMBL5793434 0.79 CTSK (0.44) CTSKCTSLFGFR4CTSS
SCHEMBL5793909 0.78 CTSK (0.41) CTSKFGFR4GPR4
SCHEMBL5794174 0.78 CTSK (0.45) CTSKCTSLFGFR4GPR4CTSS
Trifluoroacetic Acid SCHEMBL5791291 0.76 CTSK (0.38) CTSKMAPK14
Trifluoroacetic Acid SCHEMBL5808826 0.75 CTSK (0.37) CTSKCTSSMAPK14
SCHEMBL5807653 0.75 CTSK (0.35) CTSKFGFR4GPR4
SCHEMBL5794212 0.74 HPGD (0.41) CTSKCTSLFGFR4GPR4

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 claimed