SCHEMBL4413885

SCHEMBL4413885

Nc1[nH]c(Nc2ccc3c(c2)OCO3)nc2ncnc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.46
ULK1 O75385 2/20 0.43
PRMT1 Q99873 1/20 0.43
DYRK1A Q13627 3/20 0.42
CLK2 P49760 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42

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
SCHEMBL4417948 0.75 GAA (0.43) FYNDYRK1ACLK2CLK4DYRK1B
SCHEMBL4428827 0.75 EGFR (0.50) FLT1KDRFLT3MAPTNPC1
SCHEMBL4427810 0.74 EGFR (0.45) KMT2AMAPTMEN1
SCHEMBL4414428 0.74 EGFR (0.47) ABL1SMN1; SMN2RAB9AHSD17B10
SCHEMBL4414311 0.74 EGFR (0.53) FLT1KDRPRKCQKMT2AMAPT
SCHEMBL4411564 0.74 CDC7 (0.49) DYRK1ACLK2CLK4DAPK3PRKD3
SCHEMBL1307044 0.74 DYRK1A (0.39) FYNPRMT1DYRK1ACLK2CLK4
SCHEMBL4411964 0.73 TTBK1 (0.49) FYNDYRK1ACLK2CLK4CHEK1
SCHEMBL4414871 0.72 MAPT (0.45) JAK2MAP4K4ABL1NTRK1PIM1
SCHEMBL14868822 0.71 FYN (0.64) FYNULK1DYRK1ACLK2CLK4

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
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US claimed