SCHEMBL27762492

SCHEMBL27762492

CC(C)CC=CCS(=O)(=O)c1cccc(C(CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.50
JAK1 P23458 18/20 0.50
JAK3 P52333 14/20 0.48
TYK2 P29597 5/20 0.48
RET P07949 3/20 0.48
ROCK1 Q13464 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
CAMK1D Q8IU85 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
SCHEMBL100206 0.90 JAK2 (0.54) JAK2JAK1JAK3TYK2RET
SCHEMBL29540805 0.89 JAK2 (0.59) JAK2JAK1JAK3TYK2RET
SCHEMBL2144728 0.89 JAK2 (0.59) JAK2JAK1JAK3TYK2RET
SCHEMBL99217 0.89 JAK2 (0.59) JAK2JAK1JAK3TYK2RET
SCHEMBL99216 0.89 JAK2 (0.59) JAK2JAK1JAK3TYK2RET
SCHEMBL99001 0.88 JAK2 (0.57) JAK2JAK1JAK3TYK2RET
SCHEMBL101335 0.86 JAK2 (0.56) JAK2JAK1JAK3TYK2RET
SCHEMBL100542 0.85 JAK2 (0.54) JAK2JAK1JAK3TYK2RET
SCHEMBL100458 0.85 JAK2 (0.56) JAK2JAK1JAK3TYK2RET
SCHEMBL101674 0.84 JAK2 (0.52) 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-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