SCHEMBL5790953

SCHEMBL5790953

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
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
SCHEMBL5792625 0.97 CTSK (0.37) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8270023 0.91 TSHR (0.36) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL8270020 0.90 CTSK (0.35) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5791285 0.89 CTSK (0.37) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5792701 0.86 CTSK (0.38) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5791656 0.86 CTSK (0.38) CTSKCTSLCTSBCTSSFGFR4
Trifluoroacetic Acid SCHEMBL5792007 0.85 MAPT (0.37) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5795001 0.84 FGFR4 (0.38) CTSKCTSLCTSBCTSSFGFR4
Trifluoroacetic Acid SCHEMBL5793926 0.84 CTSK (0.35) CTSKCTSLCTSBCTSSFGFR4
SCHEMBL5793889 0.84 CTSK (0.45) CTSKCTSLCTSBCTSS

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