SCHEMBL8242573

SCHEMBL8242573

Bc1cnc(C#N)nc1N(CC(C)C)NC(=O)c1ccc(CN2CCN(CCC)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.72
CTSK P43235 4/20 0.72
CTSL P07711 3/20 0.72
CTSB P07858 2/20 0.72
TBK1 Q9UHD2 4/20 0.38
IKBKE Q14164 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
HDAC1 Q13547 3/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM2 P08172 1/20 0.34
PRKAA2 P54646 1/20 0.34
EGFR P00533 1/20 0.34
HDAC4 P56524 1/20 0.34
ABL1 P00519 2/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
F10 P00742 1/20 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
SCHEMBL8236095 0.94 CTSS (0.82) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592558 0.91 CTSL (0.73) CTSSCTSKCTSLCTSBTBK1
SCHEMBL8243939 0.90 CTSS (0.58) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592822 0.90 CTSS (0.88) CTSSCTSKCTSLCTSBTBK1
SCHEMBL8244965 0.89 CTSL (0.68) CTSSCTSKCTSLCTSBTBK1
Trifluoroacetic Acid SCHEMBL5592848 0.86 CTSL (0.79) CTSSCTSKCTSLCTSBTBK1
SCHEMBL8245157 0.85 CTSL (0.69) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592755 0.85 CTSS (0.73) CTSSCTSKCTSLCTSBTBK1
SCHEMBL5592944 0.85 CTSL (0.73) CTSSCTSKCTSLCTSBTBK1
SCHEMBL8243023 0.84 CTSS (0.83) CTSSCTSKCTSLCTSBTBK1

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed