SCHEMBL4428147

SCHEMBL4428147

CC(C)CN(C(=O)O)N(c1nc(C#N)nc2c1ncn2CCCN(C)C)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 3/20 0.40

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
SCHEMBL4429530 0.95 CTSL (0.42) CTSLCTSSCTSKCTSB
SCHEMBL4429535 0.89 CTSL (0.41) CTSLCTSSCTSKCTSB
SCHEMBL4428152 0.86 CTSL (0.40) CTSLCTSSCTSKCTSB
SCHEMBL4432030 0.84 CTSL (0.34) CTSLCTSSCTSKCTSB
SCHEMBL4429532 0.81 CTSL (0.43) CTSLCTSSCTSKCTSB
SCHEMBL4438784 0.81 CTSL (0.34) CTSLCTSSCTSB
SCHEMBL8138108 0.81 CTSL (0.47) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL3319445 0.80 CTSL (0.41) CTSLCTSSCTSKCTSB
SCHEMBL4429647 0.80 CTSS (0.38) CTSLCTSSCTSKCTSB
SCHEMBL3319092 0.80 CTSL (0.48) CTSLCTSSCTSKCTSB

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 2 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 disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed