SCHEMBL4460846

SCHEMBL4460846

CC(=NO)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=CCc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.64
JAK3 P52333 11/20 0.63
JAK1 P23458 5/20 0.63
TYK2 P29597 3/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC3 O15379 1/20 0.63
NCOR1 O75376 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
BMPR1B O00238 1/20 0.61
PLK4 O00444 1/20 0.61
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
OPA1 O60313 1/20 0.61
ROCK2 O75116 1/20 0.61
STK16 O75716 1/20 0.61
PRKD3 O94806 1/20 0.61
CSNK2A2 P19784 1/20 0.61
CDK2 P24941 1/20 0.61

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
SCHEMBL4377627 0.92 JAK2 (0.71) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4377635 0.92 JAK2 (0.71) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4460844 0.89 JAK2 (0.71) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4468381 0.89 JAK2 (0.72) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4378778 0.82 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4381422 0.80 JAK2 (0.77) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2865873 0.79 JAK2 (0.82) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL23897366 0.79 JAK2 (0.83) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4385679 0.79 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4390308 0.79 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1

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 claimed