SCHEMBL2345330

SCHEMBL2345330

COc1cc(-c2cnc3c(C(=O)C(C)(C)CO)c[nH]c3n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

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
NEK2 P51955 7/20 0.41
MAP3K11 Q16584 7/20 0.40
BRD4 O60885 1/20 0.39
PLK1 P53350 1/20 0.39
NEK1 Q96PY6 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TYK2 P29597 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL2274716 0.92 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2280685 0.84 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275822 0.84 SYK (0.67) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL13689465 0.83 SYK (0.66) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2275089 0.83 SYK (0.66) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277455 0.82 SYK (0.64) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2338325 0.82 SYK (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279864 0.81 SYK (0.63) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2277349 0.81 SYK (0.72) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2279485 0.81 SYK (0.66) 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