SCHEMBL6263352

SCHEMBL6263352

Oc1ccc(-c2cn3ccnc3c(NC3CCC(O)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.49
SYK P43405 10/20 0.45
FYN P06241 1/20 0.41
AURKA O14965 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 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
SCHEMBL6280533 0.90 MAPK8 (0.50) MAPK8SYKAURKA
SCHEMBL6262205 0.88 MAPK8 (0.47) MAPK8SYK
SCHEMBL6265223 0.88 PIK3CA (0.53) MAPK8SYKAURKAPIK3R1PIK3CA
SCHEMBL6264959 0.87 MAPK8 (0.46) MAPK8SYKAURKA
SCHEMBL6261165 0.87 MAPK8 (0.46) MAPK8SYK
SCHEMBL6264925 0.87 MAPK8 (0.57) MAPK8SYKADORA3
SCHEMBL6264246 0.84 AURKA (0.60) MAPK8SYKAURKAADORA3
SCHEMBL6261835 0.83 FYN (0.48) MAPK8SYKFYNAURKA
SCHEMBL6270503 0.83 AURKA (0.57) MAPK8SYKAURKA
SCHEMBL6264936 0.81 MAPK8 (0.58) MAPK8SYKAURKAADORA3

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-2005085252-A1 IMIDAZO ‘1,2-A’ PYRAZINE COMPOUNDS WHICH INTERACT WITH PROTEIN KINASES BIOFOCUS DISCOVERY LIMITED (GB) 2005-09-15 WO claimed