SCHEMBL6237549

SCHEMBL6237549

CN1CCN(c2nc(C#N)nc(NC3CCCCC3)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.73
CTSK P43235 4/20 0.73
CTSL P07711 3/20 0.73
CTSB P07858 1/20 0.73
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HRH4 Q9H3N8 2/20 0.49

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
SCHEMBL6259447 0.89 CTSS (0.81) CTSSCTSKCTSLCTSBHTT
SCHEMBL6235821 0.89 CTSS (0.81) CTSSCTSKCTSLCTSBHTT
SCHEMBL6241051 0.87 CTSS (0.76) CTSSCTSKCTSLCTSBHTT
SCHEMBL6239271 0.86 CTSS (0.69) CTSSCTSKCTSLCTSBHTT
SCHEMBL6239841 0.85 CTSS (0.74) CTSSCTSKCTSLCTSBHTT
SCHEMBL6239326 0.85 CTSK (0.73) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6236491 0.85 CTSK (1.00) CTSSCTSKCTSLCTSBHTT
SCHEMBL6237865 0.83 CTSK (0.71) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL6236127 0.80 CTSL (0.60) CTSSCTSKCTSLCTSBHTT
SCHEMBL6241632 0.79 CTSS (0.68) CTSSCTSKCTSLCTSB

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-2005011703-A1 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES AKZO NOBEL N.V. (NL) 2005-02-10 WO disclosed