SCHEMBL2344596

SCHEMBL2344596

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.56
CYP2C9 P11712 1/20 0.56
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 2/20 0.44
MAP3K11 Q16584 8/20 0.38
TYK2 P29597 1/20 0.37
NEK2 P51955 3/20 0.36
FYN P06241 1/20 0.36
LRRK2 Q5S007 2/20 0.35
BRD4 O60885 1/20 0.35
PDGFRB P09619 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAP4K1 Q92918 1/20 0.35

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
SCHEMBL3396681 0.89 SYK (0.57) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2345973 0.81 SYK (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3399078 0.79 SYK (0.60) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343235 0.78 SYK (0.49) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL27822514 0.77 SYK (0.69) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3398130 0.77 SYK (0.51) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3398774 0.76 SYK (0.46) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2274716 0.76 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275822 0.76 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3396179 0.75 SYK (0.52) 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 disclosed