SCHEMBL2349552

SCHEMBL2349552

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(N4CCCC4)cc(N4CCCC4)c3)nc12.Clc1cc(N2CCCC2)cc(N2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.46
SYK P43405 7/20 0.45
KCNH2 Q12809 1/20 0.45
CYP2C9 P11712 1/20 0.43
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL2276394 0.96 JAK3 (0.49) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2280584 0.90 JAK3 (0.46) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2275915 0.89 JAK3 (0.45) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2276253 0.89 JAK3 (0.45) JAK3SYKKCNH2CYP2C9
SCHEMBL2278026 0.88 JAK3 (0.44) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2278229 0.88 SYK (0.47) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2278709 0.87 JAK3 (0.55) JAK3SYKKCNH2CYP2C9
SCHEMBL2273689 0.87 JAK3 (0.44) JAK3SYKKCNH2CYP2C9
SCHEMBL2276249 0.87 JAK3 (0.49) JAK3SYKKCNH2CYP2C9JAK2
SCHEMBL2281125 0.86 JAK3 (0.54) JAK3SYKKCNH2CYP2C9

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