SCHEMBL2339002

SCHEMBL2339002

COc1cc(-c2cnc3[nH]cc(OC(=O)NC4CCOC4)c3n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.52
CYP2C9 P11712 1/20 0.52
JAK2 O60674 5/20 0.45
JAK1 P23458 5/20 0.45
JAK3 P52333 4/20 0.45
MAP3K11 Q16584 2/20 0.41
NEK2 P51955 6/20 0.40
PDE4B Q07343 3/20 0.40
HPGDS O60760 1/20 0.40
TYK2 P29597 3/20 0.40
PLK1 P53350 2/20 0.39
NEK1 Q96PY6 2/20 0.39
FYN P06241 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
SCHEMBL2339060 0.95 SYK (0.53) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2339783 0.95 SYK (0.53) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2349493 0.88 SYK (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2276501 0.88 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2346422 0.86 PDE4B (0.51) SYKCYP2C9MAP3K11PDE4BFYN
SCHEMBL2339118 0.84 SYK (0.51) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2273835 0.82 SYK (0.65) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275553 0.82 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343891 0.80 SYK (0.52) SYKCYP2C9MAP3K11NEK2PDE4B
SCHEMBL2346884 0.80 SYK (0.65) 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