SCHEMBL21204571

SCHEMBL21204571

CCCC(C)O[C@H]1CCN(C(C)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.34
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
MAPT P10636 2/20 0.33
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL21204651 0.89 DPP4 (0.37) PIK3CDDPP4DPP8DPP9DPP7
SCHEMBL25094200 0.82 PDE4B (0.35) PIK3CDPDE4BALDH1A1NAMPT
SCHEMBL12448268 0.82 PDE4B (0.35) PIK3CDPDE4BALDH1A1NAMPT
SCHEMBL17660647 0.82 PDE4B (0.35) PIK3CDPDE4BALDH1A1NAMPT
SCHEMBL20457873 0.80 DPP4 (0.32) PIK3CDDPP4PDE4B
SCHEMBL22473034 0.79 PIK3CD (0.41) PIK3CDDPP4DPP8DPP9DPP7
SCHEMBL19888520 0.77 PDE4B (0.37) PIK3CDPDE4BNAMPT
SCHEMBL12801554 0.75 VNN1 (0.41) PIK3CDMAPTPDE4BALDH1A1
SCHEMBL19322325 0.74 PIK3CD (0.37) PIK3CD
SCHEMBL9221673 0.73 SMN1; SMN2 (0.44) PIK3CDALDH1A1

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
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed