SCHEMBL10179928

SCHEMBL10179928

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.62
JAK1 P23458 13/20 0.62
JAK3 P52333 9/20 0.54
HDAC6 Q9UBN7 8/20 0.54
TYK2 P29597 6/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC9 Q9UKV0 1/20 0.54
RET P07949 3/20 0.52
ROCK1 Q13464 3/20 0.52
DAPK3 O43293 2/20 0.52
PAK4 O96013 2/20 0.52
ABL1 P00519 2/20 0.52
LTK P29376 2/20 0.52
CSNK1A1 P48729 2/20 0.52

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
SCHEMBL13695658 0.91 JAK2 (0.69) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL16692526 0.90 JAK2 (0.61) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL12251377 0.89 JAK2 (0.60) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL101611 0.89 JAK2 (0.59) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL101325 0.88 JAK2 (0.58) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL21975118 0.88 JAK2 (0.58) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL21974416 0.88 JAK2 (0.60) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL18599507 0.88 JAK2 (0.58) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL12505740 0.88 JAK2 (0.58) JAK2JAK1JAK3HDAC6TYK2
SCHEMBL29540693 0.88 JAK2 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 EP disclosed