SCHEMBL2343036

SCHEMBL2343036

COCCNC(=O)Oc1c[nH]c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.59
CYP2C9 P11712 1/20 0.59
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
MAP3K11 Q16584 6/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CASR P41180 3/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2344414 0.94 SYK (0.57) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2348344 0.88 SYK (0.54) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2338326 0.87 SYK (0.53) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2351567 0.86 SYK (0.62) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2347398 0.86 SYK (0.56) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2274960 0.86 SYK (0.73) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2348385 0.85 SYK (0.61) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343753 0.85 SYK (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2343792 0.85 SYK (0.62) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2344666 0.85 SYK (0.60) 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