SCHEMBL28055290

SCHEMBL28055290

CCC(CC)c1ncc(-c2ncnc3[nH]ccc23)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.44
JAK3 P52333 5/20 0.40
DAPK3 O43293 2/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
PAK4 O96013 2/20 0.40
CSF1R P07333 2/20 0.40
RET P07949 2/20 0.40
MET P08581 2/20 0.40
PIM1 P11309 2/20 0.40
FGFR1 P11362 2/20 0.40
PRKACA P17612 2/20 0.40
FLT1 P17948 2/20 0.40
LTK P29376 2/20 0.40
GRK5 P34947 2/20 0.40
KDR P35968 2/20 0.40
CSNK1A1 P48729 2/20 0.40
CLK2 P49760 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40

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
SCHEMBL29540238 0.93 JAK2 (0.43) JAK2JAK3DAPK3PRKD3MAP4K4
Nitrous Acid SCHEMBL15399218 0.87 JAK2 (0.39) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL100543 0.85 JAK2 (0.41) JAK2JAK3DAPK3PRKD3MAP4K4
Nitrous Acid SCHEMBL5134234 0.84 JAK2 (0.39) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL98713 0.84 JAK2 (0.46) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL29541122 0.84 JAK2 (0.42) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL171724 0.83 JAK2 (0.51) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL100331 0.83 JAK2 (0.51) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL29540612 0.83 JAK2 (0.51) JAK2JAK3DAPK3PRKD3MAP4K4
SCHEMBL99796 0.83 JAK2 (0.51) JAK2JAK3DAPK3PRKD3MAP4K4

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 2 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-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