SCHEMBL4781660

SCHEMBL4781660

CC(O)Cn1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.41
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL4782298 0.81 SMYD3 (0.40) GLS
SCHEMBL4780340 0.76 DPP4 (0.42) GLSMGAMGAASIMGAM2
SCHEMBL4781030 0.76 MGAM (0.56) GLSMGAMGAASIMGAM2
SCHEMBL31162000 0.70 GLS (0.52) GLS
SCHEMBL31162029 0.70 GLS (0.52) GLS
SCHEMBL25514751 0.70 PSMB8 (0.43) GLSMGAMGAASIMGAM2
SCHEMBL4781428 0.66 ADORA2A (0.37)
SCHEMBL18900639 0.66 DPP4 (0.37)
SCHEMBL17354810 0.66 DPP4 (0.37)
SCHEMBL22062686 0.65 DPP4 (0.46) GLSMGAMGAASIMGAM2

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed