SCHEMBL6899861

SCHEMBL6899861

CNC(=O)CN1CCC(CCOc2ncc(-c3cc(NC)c(N=N)c(C#N)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.48
CTSK P43235 2/20 0.46

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
SCHEMBL6899349 0.91 CTSS (0.48) CTSSCTSK
SCHEMBL6900516 0.89 CTSS (0.56) CTSSCTSK
SCHEMBL6897695 0.84 CTSS (0.53) CTSSCTSK
SCHEMBL2146593 0.83 CTSS (0.66) CTSSCTSK
Hydrochloric Acid SCHEMBL13584590 0.82 CTSS (0.65) CTSSCTSK
SCHEMBL6900215 0.80 CTSS (0.60) CTSSCTSK
SCHEMBL2146640 0.79 CTSS (0.47) CTSSCTSK
SCHEMBL6897888 0.77 CTSS (0.57) CTSSCTSK
SCHEMBL13584996 0.77 CTSS (0.45) CTSSCTSK
SCHEMBL6900950 0.76 CTSS (0.54) CTSSCTSK

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-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed