SCHEMBL16630788

SCHEMBL16630788

CC(=O)Nc1cc2c(cc1C=O)c(-c1ccnc(C)c1)nn2C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.36
ALDH1A1 P00352 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
GRM5 P41594 1/20 0.35
NAMPT P43490 2/20 0.35
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL16630787 0.84 KDM4C (0.40) MAPK1ALDH1A1PIK3C3GRM5IRAK4
SCHEMBL16620394 0.83 MAPK1 (0.35) MAPK1
SCHEMBL19223210 0.81 MAPK1 (0.54) MAPK1
SCHEMBL17567308 0.77 L3MBTL1 (0.41) MAPK1ALDH1A1PDE4DPDE10A
SCHEMBL16620566 0.74 MAPK1 (0.35) MAPK1
SCHEMBL15294473 0.71 HPGD (0.42) MAPK1ALDH1A1NAMPTPDE4DPDE10A
SCHEMBL15248449 0.71 ALDH1A1 (0.46) MAPK1ALDH1A1NAMPTPDE4DPDE10A
SCHEMBL15248177 0.70 MAPK1 (0.43) MAPK1NAMPT
SCHEMBL18022537 0.70 PIK3C3 (0.36) MAPK1PIK3C3TLR8TLR7IRAK4
SCHEMBL17567307 0.70 L3MBTL1 (0.41) MAPK1ALDH1A1PDE4DPDE10A

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-2015051341-A1 INHIBITORS OF ERK AND METHODS OF USE ARAXES PHARMA LLC (US) 2015-04-09 WO disclosed