SCHEMBL1662600

SCHEMBL1662600

CC(C)(C)N(CCCn1cc(Nc2ncc3cnn(Cc4cccc(N5CCOCC5)c4)c3n2)cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.49
JAK2 O60674 13/20 0.43
HDAC6 Q9UBN7 10/20 0.43
JAK1 P23458 5/20 0.43
HDAC1 Q13547 4/20 0.43
TYK2 P29597 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
STAT6 P42226 2/20 0.42
HCRTR2 O43614 1/20 0.42
BRD4 O60885 1/20 0.41
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL672049 0.88 JAK3 (0.49) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL12002572 0.86 JAK3 (0.51) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL672557 0.86 JAK3 (0.51) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL672905 0.85 JAK3 (0.52) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL671993 0.85 JAK3 (0.52) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL1662384 0.85 JAK3 (0.53) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL672030 0.84 JAK3 (0.52) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL10203360 0.84 JAK3 (0.49) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL27869402 0.84 JAK3 (0.52) JAK3JAK2HDAC6JAK1HDAC1
SCHEMBL27885714 0.84 JAK3 (0.49) JAK3JAK2HDAC6JAK1HDAC1

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-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed