SCHEMBL2344666

SCHEMBL2344666

COc1cc(-c2cnc3[nH]cc(OC(=O)NCC(C)OC)c3n2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.60
CYP2C9 P11712 1/20 0.60
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
NEK2 P51955 5/20 0.39
MAP3K11 Q16584 8/20 0.38
ADORA3 P0DMS8 2/20 0.38
LRRK2 Q5S007 1/20 0.37
MAP4K1 Q92918 1/20 0.37
FYN P06241 1/20 0.36

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
SCHEMBL2351567 0.92 SYK (0.62) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2348385 0.91 SYK (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343011 0.88 SYK (0.56) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2276125 0.86 SYK (0.75) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343036 0.85 SYK (0.59) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2347398 0.85 SYK (0.56) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2344414 0.83 SYK (0.57) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343753 0.83 SYK (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343792 0.83 SYK (0.62) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2348344 0.82 SYK (0.54) SYKCYP2C9JAK2JAK1JAK3

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-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed