SCHEMBL8236804

SCHEMBL8236804

CC(C)CN(NC(=O)c1cccc(CN2CCC(N3CCN(C)CC3)CC2)c1)c1nc(C#N)ncc1Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.61
CTSK P43235 3/20 0.61
CTSL P07711 2/20 0.61
CTSB P07858 1/20 0.61
CXCR3 P49682 11/20 0.42
ACKR3 P25106 4/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL5593202 0.94 CTSL (0.54) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL8243218 0.92 CTSS (0.72) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL5592966 0.89 CTSS (0.72) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL5592570 0.89 CTSS (0.63) CTSSCTSKCTSLCTSBACKR3
SCHEMBL5592721 0.89 CTSL (0.56) CTSSCTSKCTSLCTSBACKR3
SCHEMBL5592895 0.88 CTSL (0.60) CTSSCTSKCTSLCTSBACKR3
Trifluoroacetic Acid SCHEMBL5593236 0.88 CTSL (0.49) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL5593161 0.88 CTSL (0.60) CTSSCTSKCTSLCTSBACKR3
SCHEMBL5592862 0.87 CTSL (0.55) CTSSCTSKCTSLCTSBACKR3
SCHEMBL5592870 0.87 CTSL (0.61) CTSSCTSKCTSLCTSBACKR3

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