SCHEMBL5592802

SCHEMBL5592802

CC(C)CN(NC(=O)c1ccc(CN2CCN(CCN(C)C)CC2)cc1)c1nc(C#N)ncc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.71
CTSS P25774 3/20 0.71
CTSK P43235 3/20 0.71
CTSB P07858 2/20 0.71
TBK1 Q9UHD2 3/20 0.38
NAMPT P43490 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IKBKE Q14164 2/20 0.35
EGFR P00533 1/20 0.35
UTS2R Q9UKP6 2/20 0.34
CHRM2 P08172 1/20 0.34
PRKAA2 P54646 1/20 0.34
ALK Q9UM73 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
F10 P00742 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL8245157 0.92 CTSL (0.69) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592558 0.92 CTSL (0.73) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592755 0.92 CTSS (0.73) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592944 0.92 CTSL (0.73) CTSLCTSSCTSKCTSBTBK1
SCHEMBL8243023 0.92 CTSS (0.83) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592915 0.91 CTSS (0.72) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592866 0.90 CTSL (0.72) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592572 0.90 CTSS (0.70) CTSLCTSSCTSKCTSBTBK1
SCHEMBL5592701 0.90 CTSL (0.65) CTSLCTSSCTSKCTSBTBK1
SCHEMBL8242433 0.89 CTSL (0.71) CTSLCTSSCTSKCTSBTBK1

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-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO claimed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed