SCHEMBL5793909

SCHEMBL5793909

CC(C)CNN(C(=O)CC(C)CC(C)(C)C)c1ccnc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.41
GPR4 P46093 1/20 0.35
FGFR4 P22455 1/20 0.34
AAK1 Q2M2I8 2/20 0.31
CYP3A4 P08684 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL5807653 0.80 CTSK (0.35) CTSKGPR4FGFR4
SCHEMBL5794212 0.79 HPGD (0.41) CTSKGPR4FGFR4
SCHEMBL5791587 0.79 MEN1 (0.36) CTSKFGFR4GPR119
SCHEMBL5792562 0.78 CTSK (0.45) CTSKFGFR4
SCHEMBL5791044 0.78 CTSK (0.45) CTSKGPR4FGFR4
SCHEMBL5793159 0.78 CTSK (0.36) CTSKGPR4FGFR4
SCHEMBL5791288 0.78 MAPK14 (0.43) CTSKFGFR4
Trifluoroacetic Acid SCHEMBL5793434 0.77 CTSK (0.44) CTSKFGFR4
SCHEMBL8270721 0.77 CTSK (0.41) CTSKGPR4FGFR4GPR119
Trifluoroacetic Acid SCHEMBL5791892 0.75 CTSK (0.38) CTSKFGFR4

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-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 WO claimed