SCHEMBL8314339

SCHEMBL8314339

COc1ncccc1Nc1nc(C#N)nc(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.63
CTSK P43235 11/20 0.63
CTSL P07711 10/20 0.63
CTSB P07858 9/20 0.63
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6237944 0.90 CTSK (0.49) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6236367 0.88 CTSK (0.63) CTSSCTSKCTSLCTSBPOLB
SCHEMBL6238470 0.84 CTSS (0.68) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6236029 0.81 GPR119 (0.44) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6241614 0.77 CTSK (0.76) CTSSCTSKCTSLCTSBMAPT
SCHEMBL15029661 0.76 PIK3CB (0.65)
SCHEMBL6239744 0.74 GBA1 (0.63) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6239397 0.73 GBA1 (0.62) CTSSCTSKCTSLCTSBMAPT
SCHEMBL6238044 0.73 GBA1 (0.62) CTSSCTSKCTSLCTSBMAPT
SCHEMBL5255701 0.73 CTSK (0.82) 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