SCHEMBL8270684

SCHEMBL8270684

CC(C)CN(NC(=O)NCCCN)c1ccnc(C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
FGFR4 P22455 1/20 0.34
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL8269402 0.97 CTSK (0.34) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8269404 0.96 CTSK (0.34) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5804674 0.94 CTSK (0.35) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5791557 0.90 CTSK (0.36) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5794916 0.89 CTSK (0.35) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8268876 0.89 CTSK (0.34) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5792642 0.89 CTSK (0.36) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8269413 0.88 FGFR4 (0.36) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8270723 0.88 CTSK (0.39) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8270026 0.87 FGFR4 (0.36) CTSKCTSLCTSBCTSSFGFR4

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