SCHEMBL13536577

SCHEMBL13536577

O=C(NCCc1cccnc1)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.60
JAK2 O60674 7/20 0.56
PTAFR P25105 1/20 0.53
NAMPT P43490 3/20 0.51
TYK2 P29597 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
JAK3 P52333 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL13536675 0.91 JAK1 (0.72) JAK1JAK2NAMPTTYK2KMT2A
SCHEMBL13536516 0.85 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL13536674 0.85 JAK2 (0.71) JAK1JAK2TYK2JAK3
SCHEMBL2235155 0.84 JAK1 (0.84) JAK1JAK2TYK2JAK3
SCHEMBL13536708 0.84 JAK2 (0.57) JAK1JAK2TYK2JAK3HDAC6
SCHEMBL13536667 0.83 JAK2 (0.64) JAK1JAK2TYK2SMN1; SMN2JAK3
SCHEMBL7979476 0.81 JAK2 (0.67) JAK1JAK2TYK2JAK3
SCHEMBL13536663 0.80 TYK2 (0.73) JAK1JAK2TYK2NPC1RAB9A
SCHEMBL13536709 0.79 JAK2 (0.52) JAK1JAK2TYK2SMN1; SMN2JAK3
SCHEMBL13536528 0.79 JAK2 (0.61) JAK1JAK2TYK2NPC1JAK3

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-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed