SCHEMBL12801337

SCHEMBL12801337

CC(C)(O)COc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1N

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.69
JAK3 P52333 8/20 0.64
HDAC3 O15379 1/20 0.54
NCOR1 O75376 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL12801079 0.90 JAK2 (0.65) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12800910 0.90 JAK2 (0.67) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12801615 0.88 JAK2 (0.69) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12801310 0.88 JAK2 (0.72) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12801572 0.88 JAK2 (0.69) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL1669720 0.87 JAK2 (0.61) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL12801653 0.87 JAK2 (0.85) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12801611 0.87 JAK2 (0.70) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12800919 0.87 JAK2 (0.67) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL12801288 0.85 JAK2 (0.68) JAK2JAK3JAK1TYK2

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed