SCHEMBL8270004

SCHEMBL8270004

CC(C)CN(c1ccnc(C#N)n1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.40
GPR119 Q8TDV5 1/20 0.39
FGFR4 P22455 1/20 0.37
AAK1 Q2M2I8 8/20 0.37
GPR4 P46093 1/20 0.34
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL8270028 0.85 GPR119 (0.37) CTSKGPR119FGFR4AAK1GPR4
SCHEMBL5794364 0.85 GPR119 (0.37) CTSKGPR119FGFR4AAK1GPR4
SCHEMBL8270738 0.81 CTSK (0.33) CTSKGPR119FGFR4AAK1
SCHEMBL5794380 0.80 FGFR4 (0.41) CTSKGPR119FGFR4AAK1GPR4
SCHEMBL5307004 0.79 CTSL (0.42) CTSKGPR119AAK1
SCHEMBL3320226 0.79 CTSK (0.47) CTSKGPR119FGFR4GPR4HCRTR1
SCHEMBL5791037 0.78 CTSK (0.42) CTSKGPR119FGFR4AAK1GPR4
SCHEMBL5815642 0.78 CTSK (0.40) CTSKGPR119GPR4
SCHEMBL5792575 0.77 CTSK (0.44) CTSKFGFR4GPR4HCRTR1HCRTR2
SCHEMBL8270739 0.77 CTSK (0.35) CTSKGPR119HCRTR1HCRTR2

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 disclosed