SCHEMBL19790052

SCHEMBL19790052

N#CCC(I)n1cc(-c2ncnc3c2CCN3)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.70
JAK1 P23458 8/20 0.70
JAK3 P52333 4/20 0.41
ABL1 P00519 3/20 0.41
TYK2 P29597 3/20 0.41
DAPK3 O43293 2/20 0.41
PAK4 O96013 2/20 0.41
RET P07949 2/20 0.41
LTK P29376 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CLK2 P49760 2/20 0.41
TNK2 Q07912 2/20 0.41
ROCK1 Q13464 2/20 0.41
DYRK1A Q13627 2/20 0.41
IKBKE Q14164 2/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
LRRK2 Q5S007 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41
CAMK1D Q8IU85 2/20 0.41

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
SCHEMBL13678279 0.87 JAK2 (0.70) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13078860 0.83 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
SCHEMBL12147545 0.83 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13360713 0.83 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13540940 0.82 JAK2 (0.64) JAK2JAK1JAK3ABL1TYK2
SCHEMBL10315608 0.80 JAK2 (0.61) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13540942 0.79 JAK2 (0.60) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13541202 0.79 JAK2 (0.60) JAK2JAK1JAK3ABL1TYK2
SCHEMBL12738009 0.77 JAK2 (0.62) JAK2JAK1JAK3ABL1TYK2
SCHEMBL12303219 0.76 JAK2 (0.57) JAK2JAK1JAK3ABL1TYK2

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-3272738-A2 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS Incyte Holdings Corporation (US) 2018-01-24 EP disclosed