SCHEMBL5791035

SCHEMBL5791035

CCC(C)(C)N(C(=O)O)N(CC(C)C)c1ccnc(C#N)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.45
GPR4 P46093 2/20 0.35
FGFR4 P22455 1/20 0.33
GPR119 Q8TDV5 1/20 0.31
XDH P47989 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
SCHEMBL3320226 0.90 CTSK (0.47) CTSKGPR4FGFR4GPR119XDH
SCHEMBL5792575 0.82 CTSK (0.44) CTSKGPR4FGFR4XDH
SCHEMBL5794380 0.80 FGFR4 (0.41) CTSKGPR4FGFR4GPR119XDH
SCHEMBL5791034 0.79 CTSK (0.42) CTSKGPR4FGFR4XDH
SCHEMBL5793393 0.77 CTSK (0.41) CTSKGPR4FGFR4XDH
SCHEMBL5793788 0.76 CTSK (0.38) CTSKGPR4GPR119
SCHEMBL5791444 0.76 CTSK (0.40) CTSKGPR4FGFR4XDH
SCHEMBL8270004 0.76 CTSK (0.40) CTSKGPR4FGFR4GPR119
SCHEMBL3313617 0.76 CTSK (0.58) CTSKGPR4FGFR4GPR119
SCHEMBL5794663 0.75 CTSK (0.39) CTSKGPR4FGFR4XDH

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