SCHEMBL4462282

SCHEMBL4462282

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N(C(=O)O)C4CCNCC4)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.61
JAK3 P52333 2/20 0.61
IKBKB O14920 5/20 0.58
CHUK O15111 4/20 0.58
HDAC6 Q9UBN7 6/20 0.52
HDAC1 Q13547 5/20 0.52
PLK1 P53350 1/20 0.47

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
SCHEMBL4769001 0.88 IKBKB (0.53) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL4380256 0.82 JAK2 (0.65) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL4378143 0.79 JAK2 (0.90) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL4380673 0.79 JAK2 (0.76) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL3753598 0.78 IKBKB (0.65) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL4383820 0.77 JAK2 (1.00) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4583756 0.77 JAK2 (0.57) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL4374711 0.77 JAK2 (0.72) JAK2JAK3IKBKBCHUKHDAC6
SCHEMBL4382381 0.77 JAK2 (0.81) JAK2JAK3IKBKBCHUK
SCHEMBL4380255 0.76 IKBKB (0.71) JAK2JAK3IKBKBCHUKHDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed