SCHEMBL3397964

SCHEMBL3397964

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccnc(N4CC[SH4]C(=O)C4=O)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.44
SYK P43405 4/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3399667 0.86 JAK3 (0.49) JAK3SYKKCNH2
SCHEMBL3401913 0.82 JAK3 (0.45) JAK3SYKKCNH2CYP2C9
SCHEMBL1892873 0.82 JAK3 (0.49) JAK3SYKKCNH2CYP2C9
SCHEMBL1893820 0.81 JAK3 (0.48) JAK3SYKKCNH2CYP2C9
SCHEMBL1892369 0.81 JAK3 (0.48) JAK3SYKKCNH2CYP2C9
SCHEMBL1894973 0.79 JAK3 (0.47) JAK3SYKKCNH2CYP2C9
SCHEMBL1892554 0.79 JAK3 (0.49) JAK3SYKKCNH2
SCHEMBL1893271 0.79 JAK3 (0.46) JAK3
SCHEMBL1888859 0.79 JAK3 (0.46) JAK3SYKKCNH2CYP2C9
SCHEMBL1890842 0.78 JAK3 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed