SCHEMBL5593158

SCHEMBL5593158

CC(C)CN(NC(=O)c1cncc(-c2cccc(CN3CCN(C)CC3)c2)c1)c1nc(C#N)ncc1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.74
CTSS P25774 2/20 0.74
CTSK P43235 2/20 0.74
CTSB P07858 1/20 0.74
CHRM3 P20309 2/20 0.38
ACKR3 P25106 5/20 0.38
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
TNIK Q9UKE5 2/20 0.37
WNT1 P04628 1/20 0.37
SRC P12931 2/20 0.37
KISS1R Q969F8 1/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
BCR P11274 1/20 0.36
PDGFRA P16234 1/20 0.36
SYK P43405 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
KIT P10721 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL5592953 0.95 CTSL (0.68) CTSLCTSSCTSKCTSBCHRM3
SCHEMBL8242630 0.90 CTSL (0.76) CTSLCTSSCTSKCTSBCHRM3
Trifluoroacetic Acid SCHEMBL5592914 0.86 CTSL (0.69) CTSLCTSSCTSKCTSBKISS1R
SCHEMBL3169523 0.85 CTSS (0.53) CTSLCTSSCTSKCTSBCHRM3
SCHEMBL5592896 0.85 CTSS (1.00) CTSLCTSSCTSKCTSBABL1
SCHEMBL5592724 0.85 CTSL (0.54) CTSLCTSSCTSKCTSBCHRM3
SCHEMBL5592566 0.84 CTSL (0.73) CTSLCTSSCTSKCTSBCHRM3
SCHEMBL8241977 0.84 CTSS (0.68) CTSLCTSSCTSKCTSBGSK3B
SCHEMBL8241795 0.82 CTSL (0.69) CTSLCTSSCTSKCTSBABL1
Trifluoroacetic Acid SCHEMBL3159904 0.82 CTSS (0.49) CTSLCTSSCTSKCTSBACKR3

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 claimed