SCHEMBL6260435

SCHEMBL6260435

CN(C)C(=O)c1cccc(-c2cn3ccnc3c(NC3CCC(O)CC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.61
FYN P06241 2/20 0.51
MAPK8 P45983 6/20 0.46
BTK Q06187 1/20 0.45
AURKA O14965 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
MAST3 O60307 1/20 0.42

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
SCHEMBL6264936 0.89 MAPK8 (0.58) SYKMAPK8BTKAURKAADORA3
SCHEMBL6262086 0.88 SYK (0.60) SYKMAPK8BTKMAST3
SCHEMBL6260383 0.88 SYK (0.59) SYKMAPK8BTKAURKAADORA3
SCHEMBL6264254 0.86 FYN (0.48) SYKFYNMAPK8BTKAURKA
SCHEMBL6265215 0.84 BTK (0.58) SYKBTKAURKAADORA3TMIGD3
SCHEMBL6265223 0.83 PIK3CA (0.53) SYKMAPK8BTKAURKA
SCHEMBL6263073 0.83 RXFP1 (0.55) SYKBTKAURKA
SCHEMBL6260272 0.83 MAPK8 (0.49) SYKMAPK8MAST3
SCHEMBL6270503 0.82 AURKA (0.57) SYKMAPK8BTKAURKA
SCHEMBL6265891 0.82 PIK3CA (0.47) SYKMAPK8AURKA

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