SCHEMBL4583756

SCHEMBL4583756

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N(C)C(=O)C4CCNCC4)c3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.57
JAK3 P52333 2/20 0.57
IKBKB O14920 2/20 0.53
CHUK O15111 2/20 0.53
HDAC1 Q13547 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
PLK1 P53350 1/20 0.51

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
SCHEMBL4583759 0.80 JAK2 (0.56) JAK2JAK3IKBKBCHUKHDAC1
SCHEMBL4380256 0.78 JAK2 (0.65) JAK2JAK3IKBKBCHUKHDAC1
SCHEMBL4376724 0.78 JAK2 (0.82) JAK2JAK3IKBKBCHUKHDAC1
SCHEMBL4381980 0.77 JAK2 (0.74) JAK2JAK3IKBKBHDAC1HDAC6
SCHEMBL4462282 0.77 JAK2 (0.61) JAK2JAK3IKBKBCHUKHDAC1
SCHEMBL25216750 0.76 SRC (0.42)
SCHEMBL30086516 0.76 SRC (0.42)
SCHEMBL8084736 0.76 JAK2 (0.76) JAK2JAK3IKBKBHDAC1HDAC6
SCHEMBL8084292 0.75 JAK2 (0.67) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL3753598 0.75 IKBKB (0.65) JAK2JAK3IKBKBCHUKHDAC1

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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed