SCHEMBL2144875

SCHEMBL2144875

c1nc(-c2cnn(CC3CCCN3)c2)c2cc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.52
HDAC6 Q9UBN7 9/20 0.52
JAK1 P23458 10/20 0.51
JAK3 P52333 10/20 0.51
HDAC1 Q13547 6/20 0.51
TYK2 P29597 6/20 0.51
DAPK3 O43293 2/20 0.51
PAK4 O96013 2/20 0.51
ABL1 P00519 2/20 0.51
RET P07949 2/20 0.51
LTK P29376 2/20 0.51
CSNK1A1 P48729 2/20 0.51
CLK2 P49760 2/20 0.51
TNK2 Q07912 2/20 0.51
ROCK1 Q13464 2/20 0.51
DYRK1A Q13627 2/20 0.51
IKBKE Q14164 2/20 0.51
NTRK3 Q16288 2/20 0.51
NTRK2 Q16620 2/20 0.51
LRRK2 Q5S007 2/20 0.51

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
SCHEMBL98901 1.00 JAK2 (0.52) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL10315626 0.84 JAK2 (0.59) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL12799122 0.81 JAK2 (0.54) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL12799123 0.81 JAK2 (0.54) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL21291319 0.77 JAK2 (0.50) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL13774665 0.77 JAK2 (0.61) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL28340692 0.77 JAK2 (0.61) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL19578571 0.76 JAK2 (0.53) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL2145017 0.75 JAK2 (0.51) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL2438934 0.75 JAK2 (0.51) JAK2HDAC6JAK1JAK3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP claimed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP claimed
EP-2343299-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-11-04 EP claimed
EP-2348023-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 claimed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US claimed
EP-1966202-B1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2011-09-21 EP claimed
EP-2348023-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-27 EP claimed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP claimed