SCHEMBL5548577

SCHEMBL5548577

Cc1c(C(C)C)nc(NCCCN2CCOCC2)c2n[nH]c(=O)n12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
POLB P06746 3/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.40
PKM P14618 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 3/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 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
SCHEMBL5548536 0.88 GAA (0.47) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5543566 0.84 MAPK1 (0.52) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5550115 0.84 GAA (0.45) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5545608 0.72 MAPK1 (0.51) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL3526664 0.72 GAA (0.45) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL5549356 0.72 ALDH1A1 (0.55) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL10518348 0.66 KDM4E (0.46) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL10488969 0.63 SMN1; SMN2 (0.50) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL13397875 0.62 KDM4E (0.51) GAAPOLBKDM4EALDH1A1HSD17B10
SCHEMBL10664954 0.62 KDM4E (0.46) 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