SCHEMBL3399200

SCHEMBL3399200

CC(C)(C=O)Cc1c[nH]c2ncc(-n3ccc(C(=O)N4CCCC4)c3)nc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.35
STK25 O00506 1/20 0.34
SYK P43405 2/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33

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
SCHEMBL3398086 0.98 JAK3 (0.36) JAK3STK25SYKJAK2JAK1
SCHEMBL1894455 0.81 JAK3 (0.49) JAK3SYKJAK2JAK1
SCHEMBL1896487 0.79 JAK3 (0.49) JAK3SYKJAK2JAK1
SCHEMBL3401563 0.77 HPGD (0.38) JAK3STK25SYKJAK2JAK1
SCHEMBL3400234 0.76 YEATS4 (0.39) JAK3SYKJAK2JAK1
SCHEMBL3401592 0.76 HPGD (0.40) JAK3STK25SYKJAK2JAK1
SCHEMBL3400750 0.76 JAK3 (0.46) JAK3
SCHEMBL3401648 0.75 YEATS4 (0.38) JAK3SYKJAK2JAK1
SCHEMBL3401584 0.75 MAPK1 (0.36) JAK3STK25SYKJAK2JAK1
SCHEMBL3402586 0.74 YEATS4 (0.36) JAK3SYKJAK2JAK1

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-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