SCHEMBL27741963

SCHEMBL27741963

O[CH]CCn1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.65
HDAC6 Q9UBN7 12/20 0.65
HDAC1 Q13547 9/20 0.64
JAK1 P23458 8/20 0.62
JAK3 P52333 6/20 0.62
TYK2 P29597 4/20 0.62
HDAC3 O15379 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
NCOR2 Q9Y618 2/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
RET P07949 3/20 0.46
ROCK1 Q13464 3/20 0.46
CIT O14578 2/20 0.46
GAK O14976 2/20 0.46
ROCK2 O75116 2/20 0.46
ULK1 O75385 2/20 0.46

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
SCHEMBL13695723 0.84 JAK2 (0.65) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL20908684 0.82 JAK2 (0.69) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL28340692 0.81 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13774665 0.81 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13695724 0.81 JAK2 (0.62) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL101593 0.81 JAK2 (0.62) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL13695626 0.79 JAK2 (0.66) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL101195 0.79 JAK2 (0.62) JAK2HDAC6HDAC1JAK1JAK3
Phosphoric Acid SCHEMBL28297504 0.78 JAK2 (0.61) JAK2HDAC6HDAC1JAK1JAK3
SCHEMBL30589328 0.77 AURKA (0.62) JAK2HDAC6HDAC1JAK1JAK3

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-103254190-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-08-21 CN claimed
CN-103214484-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP A DELAWARE CORP 2013-07-24 CN claimed
CN-103214483-A Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2013-07-24 CN claimed
CN-101448826-A Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors INCYTE CORP (US) 2009-06-03 CN claimed