SCHEMBL28119090

SCHEMBL28119090

[CH2]C(C)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.58
JAK1 P23458 12/20 0.58
JAK3 P52333 8/20 0.58
HDAC6 Q9UBN7 8/20 0.58
TYK2 P29597 6/20 0.58
HDAC1 Q13547 6/20 0.58
HDAC3 O15379 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
HDAC9 Q9UKV0 1/20 0.58
RET P07949 3/20 0.55
ROCK1 Q13464 3/20 0.55
DAPK3 O43293 2/20 0.55
PAK4 O96013 2/20 0.55
ABL1 P00519 2/20 0.55
LTK P29376 2/20 0.55
CSNK1A1 P48729 2/20 0.55

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
SCHEMBL13695654 0.90 JAK2 (0.60) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL13695656 0.85 JAK2 (0.64) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL13695658 0.84 JAK2 (0.69) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL101975 0.83 JAK2 (0.62) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL171130 0.83 JAK2 (0.67) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL100598 0.83 JAK2 (0.67) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL171334 0.83 JAK2 (0.67) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL98858 0.83 JAK2 (0.61) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL24258066 0.82 JAK2 (0.58) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL12250906 0.82 JAK2 (0.61) JAK2JAK1JAK3HDAC6TYK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456773-A JAK1 inhibitors for the treatment of myelodysplastic syndrome 因赛特公司 2017-02-22 CN claimed
CN-106413716-A Treatment of B cell malignancies by combination of JAK and PI3K inhibitors 因赛特公司 2017-02-15 CN claimed
CN-106456773-A JAK1 inhibitors for the treatment of myelodysplastic syndrome 因赛特公司 2017-02-22 CN disclosed
CN-106413716-A Treatment of B cell malignancies by combination of JAK and PI3K inhibitors 因赛特公司 2017-02-15 CN disclosed