SCHEMBL28049773

SCHEMBL28049773

N#CCCC(n1cc(-c2ncnc3[nH]ccc23)cn1)(n1cc(-c2ncnc3[nH]ccc23)cn1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.53
JAK1 P23458 17/20 0.53
JAK3 P52333 13/20 0.53
RET P07949 3/20 0.53
ROCK1 Q13464 3/20 0.53
TYK2 P29597 3/20 0.53
DAPK3 O43293 2/20 0.53
PAK4 O96013 2/20 0.53
ABL1 P00519 2/20 0.53
LTK P29376 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CLK2 P49760 2/20 0.53
TNK2 Q07912 2/20 0.53
DYRK1A Q13627 2/20 0.53
IKBKE Q14164 2/20 0.53
NTRK3 Q16288 2/20 0.53
NTRK2 Q16620 2/20 0.53
LRRK2 Q5S007 2/20 0.53
TAOK1 Q7L7X3 2/20 0.53
CAMK1D Q8IU85 2/20 0.53

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
SCHEMBL101164 0.91 JAK2 (0.58) JAK2JAK1JAK3RETROCK1
SCHEMBL12250914 0.88 JAK2 (0.54) JAK2JAK1JAK3RETROCK1
SCHEMBL99487 0.84 JAK2 (0.60) JAK2JAK1JAK3RETROCK1
SCHEMBL5197750 0.82 JAK2 (0.51) JAK2JAK1JAK3RETROCK1
SCHEMBL101593 0.81 JAK2 (0.62) JAK2JAK1JAK3RETROCK1
SCHEMBL98899 0.81 JAK2 (0.56) JAK2JAK1JAK3RETROCK1
SCHEMBL29541180 0.79 JAK2 (0.71) JAK2JAK1JAK3RETROCK1
SCHEMBL101254 0.79 JAK2 (0.71) JAK2JAK1JAK3RETROCK1
SCHEMBL18602153 0.79 JAK2 (0.54) JAK2JAK1JAK3RETROCK1
SCHEMBL99002 0.78 JAK2 (0.64) JAK2JAK1JAK3RETROCK1

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-103214484-B Pyrrolo-[2,3-b] pyridine replaced as the heteroaryl of Janus inhibitors of kinases and pyrrolo-[2,3-b] pyrimidine 因塞特控股公司 2016-07-06 CN disclosed
CN-105669676-A Processes for preparing jak inhibitors and related intermediate compounds 因西特控股公司 2016-06-15 CN disclosed
CN-105669675-A Processes for preparing jak inhibitors and related intermediate compounds 因西特控股公司 2016-06-15 CN disclosed
CN-102348693-B Methods for preparing JAK inhibitors and related intermediate compounds INCYTE CORP. (US) 2016-03-16 CN disclosed