SCHEMBL3398086

SCHEMBL3398086

CC(C)(C=O)Cc1c[nH]c2ncc(-n3ccc(C(=O)N4CCC4)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.36
SYK P43405 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
STK25 O00506 1/20 0.32

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
SCHEMBL3399200 0.98 JAK3 (0.35) JAK3SYKJAK2JAK1STK25
SCHEMBL1896487 0.81 JAK3 (0.49) JAK3SYKJAK2JAK1
SCHEMBL1894455 0.79 JAK3 (0.49) JAK3SYKJAK2JAK1
SCHEMBL3401584 0.77 MAPK1 (0.36) JAK3SYKMEN1ALDH1A1HTT
SCHEMBL3402586 0.76 YEATS4 (0.36) JAK3SYKALDH1A1SMN1; SMN2JAK2
SCHEMBL3400750 0.76 JAK3 (0.46) JAK3
SCHEMBL3401563 0.75 HPGD (0.38) JAK3SYKALDH1A1JAK2JAK1
SCHEMBL3400234 0.74 YEATS4 (0.39) JAK3SYKALDH1A1SMN1; SMN2JAK2
SCHEMBL3401592 0.74 HPGD (0.40) JAK3SYKALDH1A1JAK2JAK1
SCHEMBL3401648 0.74 YEATS4 (0.38) JAK3SYKALDH1A1SMN1; SMN2JAK2

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