SCHEMBL6238470

SCHEMBL6238470

COc1ccccc1Nc1nc(C#N)nc(N2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.68
CTSK P43235 10/20 0.68
CTSL P07711 9/20 0.68
CTSB P07858 8/20 0.68
MAPT P10636 1/20 0.58
POLB P06746 1/20 0.53
GBA1 P04062 3/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL6239744 0.90 GBA1 (0.63) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6238044 0.89 GBA1 (0.62) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6239397 0.89 GBA1 (0.62) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6235680 0.88 MAPT (0.57) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6237209 0.87 CTSK (0.67) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6238645 0.86 GBA1 (0.51) CTSSCTSKCTSLCTSBMAPT
SCHEMBL8314339 0.84 CTSS (0.63) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6239273 0.83 GBA1 (0.53) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6238813 0.83 CTSL (0.48) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6239305 0.83 GBA1 (0.52) CTSSCTSKCTSLCTSBMAPT

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