SCHEMBL5794380

SCHEMBL5794380

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.41
CTSK P43235 11/20 0.40
GPR4 P46093 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CTSB P07858 3/20 0.33
CTSS P25774 3/20 0.33
CTSL P07711 2/20 0.33
CTSC P53634 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
CYP3A4 P08684 1/20 0.31
PLCG1 P19174 1/20 0.31
IDO1 P14902 1/20 0.31
MAPK14 Q16539 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL3320226 0.88 CTSK (0.47) FGFR4CTSKGPR4GPR119CTSB
SCHEMBL5791035 0.80 CTSK (0.45) FGFR4CTSKGPR4GPR119XDH
SCHEMBL8270004 0.80 CTSK (0.40) FGFR4CTSKGPR4GPR119AAK1
SCHEMBL5792575 0.77 CTSK (0.44) FGFR4CTSKGPR4CTSBCTSS
SCHEMBL5791380 0.76 CTSK (0.33) FGFR4CTSKCTSS
SCHEMBL8268828 0.75 CTSK (0.42) FGFR4CTSKGPR4GPR119CTSB
SCHEMBL5791716 0.75 FGFR4 (0.35) FGFR4CTSKCTSSCTSL
SCHEMBL8270028 0.75 GPR119 (0.37) FGFR4CTSKGPR4GPR119CTSB
SCHEMBL5794364 0.75 GPR119 (0.37) FGFR4CTSKGPR4GPR119CTSB
SCHEMBL5791034 0.74 CTSK (0.42) FGFR4CTSKGPR4CTSBCTSS

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