SCHEMBL28806567

SCHEMBL28806567

N#CC(=C1CCCC1)C(=C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.48
JAK1 P23458 16/20 0.48
JAK3 P52333 12/20 0.48
TYK2 P29597 5/20 0.48
RET P07949 3/20 0.48
ROCK1 Q13464 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
DAPK3 O43293 2/20 0.48
PAK4 O96013 2/20 0.48
ABL1 P00519 2/20 0.48
LTK P29376 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CLK2 P49760 2/20 0.48
TNK2 Q07912 2/20 0.48
DYRK1A Q13627 2/20 0.48
IKBKE Q14164 2/20 0.48
NTRK3 Q16288 2/20 0.48
NTRK2 Q16620 2/20 0.48
LRRK2 Q5S007 2/20 0.48
TAOK1 Q7L7X3 2/20 0.48

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
SCHEMBL98908 0.82 JAK2 (0.53) JAK2JAK1JAK3TYK2RET
Acetonitrile SCHEMBL18036542 0.74 JAK2 (0.52) JAK2JAK1JAK3TYK2RET
SCHEMBL13774792 0.74 JAK2 (0.52) JAK2JAK1JAK3TYK2RET
SCHEMBL99776 0.73 JAK2 (0.55) JAK2JAK1JAK3TYK2RET
SCHEMBL99775 0.73 JAK2 (0.55) JAK2JAK1JAK3TYK2RET
SCHEMBL31419838 0.73 JAK2 (0.55) JAK2JAK1JAK3TYK2RET
SCHEMBL13678278 0.73 JAK2 (0.53) JAK2JAK1JAK3TYK2RET
SCHEMBL3377808 0.72 JAK2 (0.50) JAK2JAK1JAK3TYK2RET
SCHEMBL3376129 0.72 JAK2 (0.49) JAK2JAK1JAK3TYK2RET
SCHEMBL30589328 0.70 AURKA (0.62) JAK2JAK1JAK3TYK2RET

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-103214483-B Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2014-12-17 CN disclosed
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 disclosed
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 disclosed
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 disclosed