SCHEMBL5548536

SCHEMBL5548536

Cc1nc(NCCCN2CCOCC2)c2n[nH]c(=O)n2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 3/20 0.45
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 5/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL5550115 0.88 GAA (0.45) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5548577 0.88 GAA (0.45) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5543566 0.76 MAPK1 (0.52) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5545608 0.76 MAPK1 (0.51) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL3526664 0.75 GAA (0.45) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5549356 0.75 ALDH1A1 (0.55) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL10518348 0.68 KDM4E (0.46) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5549410 0.68 TLR9 (0.43) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL7238360 0.66 KDM4E (0.62) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL10488969 0.65 SMN1; SMN2 (0.50) GAAPOLBKDM4EALDH1A1HSD17B10

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-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed