SCHEMBL5549385

SCHEMBL5549385

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCC2(N3CCOCC3)CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
HCN4 Q9Y3Q4 1/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.36
THRB P10828 3/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5545548 0.92 MEN1 (0.36) MAPTNPSR1LMNATP53TDP1
SCHEMBL5543751 0.79 LMNA (0.39) LMNAL3MBTL1POLB
SCHEMBL5549410 0.79 TLR9 (0.43) NPSR1LMNAPOLB
SCHEMBL3526664 0.77 GAA (0.45) MAPTNPSR1LMNATP53TDP1
SCHEMBL5545643 0.75 GSK3B (0.34)
SCHEMBL5548887 0.74 KAT2B (0.40) MAPTNPSR1
SCHEMBL5548609 0.73 MAPK1 (0.37)
SCHEMBL5549388 0.73 IRAK4 (0.33)
SCHEMBL5549838 0.73 PGK1 (0.40) L3MBTL1
SCHEMBL5545590 0.71 GSK3B (0.35)

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