SCHEMBL16673879

SCHEMBL16673879

CC(O)CC(C)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.63
JAK1 P23458 11/20 0.63
HDAC6 Q9UBN7 8/20 0.63
JAK3 P52333 7/20 0.63
HDAC1 Q13547 6/20 0.63
TYK2 P29597 5/20 0.63
HDAC3 O15379 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
NCOR2 Q9Y618 2/20 0.63
HDAC9 Q9UKV0 1/20 0.63
DAPK3 O43293 2/20 0.53
PAK4 O96013 2/20 0.53
ABL1 P00519 2/20 0.53
RET P07949 2/20 0.53
LTK P29376 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CLK2 P49760 2/20 0.53

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
SCHEMBL13695656 0.87 JAK2 (0.64) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL17219992 0.86 JAK2 (0.61) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL171334 0.85 JAK2 (0.67) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL171130 0.85 JAK2 (0.67) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL100598 0.85 JAK2 (0.67) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL2356213 0.84 JAK2 (0.61) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL98858 0.84 JAK2 (0.61) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL13695654 0.84 JAK2 (0.60) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL13695711 0.83 JAK2 (0.71) JAK2JAK1HDAC6JAK3HDAC1
SCHEMBL2381207 0.83 JAK2 (0.71) JAK2JAK1HDAC6JAK3HDAC1

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
EP-2343298-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed