SCHEMBL16630787

SCHEMBL16630787

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.40
FTO Q9C0B1 1/20 0.40
RORC P51449 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 6/20 0.37
SORT1 Q99523 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
GRM5 P41594 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
SCHEMBL16630788 0.84 MAPK1 (0.36) MAPK1PIK3C3ALDH1A1IRAK4GRM5
SCHEMBL16619911 0.83 FTO (0.40) KDM4CFTORORCMAPK1SORT1
SCHEMBL19223209 0.80 MAPK1 (0.55) MAPK1
SCHEMBL15294473 0.77 HPGD (0.42) KDM4CFTOKDM4EMAPK1ALDH1A1
SCHEMBL19223243 0.72 NPC1 (0.41) FTOMAPK1ALDH1A1
SCHEMBL15248449 0.72 ALDH1A1 (0.46) KDM4CKDM4EMAPK1ALDH1A1
SCHEMBL15248177 0.71 MAPK1 (0.43) MAPK1
SCHEMBL16619783 0.71 MAPK1 (0.37) FTORORCKDM4EMAPK1ALDH1A1
SCHEMBL16620394 0.70 MAPK1 (0.35) MAPK1
SCHEMBL18022541 0.70 FTO (0.40) KDM4CFTOKDM4EHSD17B10SORT1

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