SCHEMBL13616117

SCHEMBL13616117

C=C/C=C(\C=C(C)C)c1cnc(Nc2ccc(N3C[C@@H]4C[C@H]3CN4C(C)C)cc2)c2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MAPKAPK5 Q8IW41 2/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
WEE1 P30291 1/20 0.30

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
SCHEMBL1888880 0.80 SYK (0.46) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1887992 0.80 SYK (0.46) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2390949 0.77 SYK (0.44) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2389685 0.71 MAPKAPK5 (0.64) SYKMAPKAPK5TLR9TLR8TLR7
Glpg-0259 SCHEMBL1889564 0.71 MAPKAPK5 (0.49) SYKMAPKAPK5TLR9TLR8TLR7
Glpg-0259 SCHEMBL12661679 0.71 MAPKAPK5 (0.49) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2390977 0.71 SYK (0.40) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2387713 0.71 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL1570305 0.70 SYK (0.43) SYKMAPKAPK5TLR9TLR8TLR7
SCHEMBL2394082 0.69 MAPKAPK5 (0.47) SYKMAPKAPK5TLR9TLR8TLR7

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
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 WO disclosed