SCHEMBL14624397

SCHEMBL14624397

COC(=O)c1ccc2ncc(C(=O)C(C)=O)n2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.46
TRIM33 Q9UPN9 5/20 0.42
MAPK1 P28482 2/20 0.42
TRIM24 O15164 2/20 0.42
RIPK2 O43353 2/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHB3 P54753 1/20 0.40
HTR6 P50406 1/20 0.39
CLK1 P49759 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14427931 0.85 TGFBR1 (0.46) TGFBR1TRIM33MAPK1TRIM24RIPK2
SCHEMBL3490961 0.78 MAPK1 (0.45) TGFBR1TRIM33MAPK1TRIM24RIPK2
SCHEMBL3033347 0.78 MAPK1 (0.45) TGFBR1TRIM33MAPK1TRIM24RIPK2
SCHEMBL24997431 0.76 ALDH1A1 (0.45) TGFBR1TRIM33MAPK1TRIM24RIPK2
SCHEMBL1355620 0.75 ADORA2A (0.62) TGFBR1MAPK1KDM4EEPHB3NPC1
SCHEMBL15231746 0.74 BRD4 (0.45) TGFBR1TRIM33MAPK1TRIM24RIPK2
SCHEMBL3490519 0.73 FYN (0.55) TRIM33TRIM24RIPK2KDM4ECLK1
SCHEMBL25148814 0.73 CHEK1 (0.46) TGFBR1RIPK2KDM4ENPC1ALDH1A1
SCHEMBL15639434 0.72 PIK3CA (0.45) TGFBR1KDM4EEPHB3CLK1NPC1
SCHEMBL3491081 0.72 TGFBR1 (0.46) TGFBR1RIPK2KDM4ENPC1ALDH1A1

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-1353905-B1 PIPERIDINE/PIPERAZINE-TYPE INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-01-10 EP disclosed