SCHEMBL4449780

SCHEMBL4449780

CCn1c(=N)c(-c2cc(OC)cc(C(=O)O)c2)cc2cnc3[nH]ccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.40
JAK1 P23458 11/20 0.40
JAK3 P52333 11/20 0.40
TYK2 P29597 9/20 0.40
FGFR1 P11362 3/20 0.35
NTRK1 P04629 3/20 0.35
FLT3 P36888 3/20 0.35
DYRK3 O43781 2/20 0.35
ROCK2 O75116 2/20 0.35
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
CDK1 P06493 2/20 0.35
MARK3 P27448 2/20 0.35
AXL P30530 2/20 0.35
FLT4 P35916 2/20 0.35
SYK P43405 2/20 0.35
CSNK1D P48730 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35

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
SCHEMBL1135023 0.90 JAK3 (0.41) JAK2JAK1JAK3TYK2CSNK1D
SCHEMBL1135047 0.90 JAK2 (0.44) JAK2JAK1JAK3TYK2FGFR1
SCHEMBL1134973 0.82 JAK2 (0.46) JAK2JAK1JAK3TYK2FGFR1
SCHEMBL1134936 0.80 JAK1 (0.42) JAK2JAK1JAK3TYK2FGFR1
SCHEMBL1134939 0.79 JAK2 (0.41) JAK2JAK1JAK3TYK2FGFR1
SCHEMBL1134994 0.78 FGFR4 (0.41) JAK2JAK1JAK3TYK2FGFR1
SCHEMBL1134944 0.78 JAK1 (0.43) JAK2JAK1JAK3TYK2NTRK1
SCHEMBL12993599 0.77 LYN (0.41) FGFR1LYNSRCBTKKDR
SCHEMBL1134977 0.77 JAK2 (0.44) JAK2JAK1JAK3TYK2
SCHEMBL1134917 0.73 KMT2A (0.49)

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
EP-2027123-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-02-25 EP disclosed
WO-2007134259-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-11-22 WO disclosed