SCHEMBL5545548

SCHEMBL5545548

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCC2(N3CCCCC3)CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.34
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL5548887 0.79 KAT2B (0.40) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL5550007 0.78 KAT2B (0.39) MEN1KMT2AHTTMAPTNPSR1
SCHEMBL5545643 0.78 GSK3B (0.34)
SCHEMBL5549838 0.78 PGK1 (0.40) GAA
SCHEMBL5549024 0.74 KAT2B (0.41) LMNA
SCHEMBL5545590 0.74 GSK3B (0.35)
SCHEMBL3521775 0.74 GSK3B (0.36)
SCHEMBL3529268 0.74 ADORA1 (0.37)
SCHEMBL5549004 0.74 PDE10A (0.39)
SCHEMBL5549359 0.72 LPAR2 (0.31)

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