SCHEMBL3396334

SCHEMBL3396334

C#CCC(C)(C)Cc1c[nH]c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.50
CYP2C9 P11712 1/20 0.50
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
MAP3K11 Q16584 8/20 0.38
BRD4 O60885 2/20 0.38
MAP4K1 Q92918 1/20 0.36
KIT P10721 2/20 0.36
FYN P06241 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PDGFRB P09619 1/20 0.35
MAPK1 P28482 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
SCHEMBL2362208 0.84 SYK (0.54) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3398152 0.84 SYK (0.50) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3395228 0.81 SYK (0.58) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3396179 0.80 SYK (0.52) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3398846 0.80 SYK (0.50) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2282187 0.80 SYK (0.62) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3399252 0.77 SYK (0.58) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL12400126 0.74 SYK (0.60) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL3396263 0.73 SYK (0.59) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2273474 0.73 SYK (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed