SCHEMBL4429647

SCHEMBL4429647

CC(C)CN(C(=O)O)N(c1nc(C#N)nc2c1ncn2C(=O)N1CCN(C)CC1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.38
CTSL P07711 10/20 0.38
CTSK P43235 5/20 0.38
CTSB P07858 4/20 0.34

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
SCHEMBL4432656 0.99 CTSS (0.40) CTSSCTSLCTSKCTSB
SCHEMBL4438784 0.91 CTSL (0.34) CTSSCTSLCTSB
SCHEMBL3315733 0.82 CTSS (0.43) CTSSCTSLCTSKCTSB
SCHEMBL3319251 0.81 CTSS (0.44) CTSSCTSLCTSKCTSB
SCHEMBL4429530 0.81 CTSL (0.42) CTSSCTSLCTSKCTSB
SCHEMBL4428147 0.80 CTSL (0.40) CTSSCTSLCTSKCTSB
SCHEMBL4432030 0.79 CTSL (0.34) CTSSCTSLCTSKCTSB
SCHEMBL4429535 0.78 CTSL (0.41) CTSSCTSLCTSKCTSB
SCHEMBL3318584 0.77 CTSS (0.38) CTSSCTSLCTSKCTSB
SCHEMBL3319971 0.77 CTSS (0.40) CTSSCTSLCTSKCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP claimed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO claimed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed