SCHEMBL17865993

SCHEMBL17865993

C#Cc1cn([C@H]2C[C@H](O)[C@@H](N(C)S(=O)(=O)O)C2)c2ncnc(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.41
KDR P35968 2/20 0.41
ABL1 P00519 2/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 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
SCHEMBL191320 0.77 CA2 (0.51) LCKKDRABL1DAPK3MAP4K4
SCHEMBL14563560 0.68 PRMT5 (0.36) PRMT5WDR77
SCHEMBL17865973 0.67 UBA6 (0.42) CSNK1A1CA2PRMT5WDR77
SCHEMBL17865963 0.66 UBA6 (0.41) IGF1RCSNK1A1CA2PRMT5WDR77
SCHEMBL17865917 0.64 UBA6 (0.42) CSNK1A1CDK5ADKCA2PRMT5
SCHEMBL17865956 0.63 NAE1 (0.43) CSNK1A1ADKCA2PRMT5EGFR
SCHEMBL17865924 0.62 UBA6 (0.38) CSNK1A1CA2PRMT5WDR77
SCHEMBL17866002 0.62 NAE1 (0.41) CSNK1A1CDK5ADKCA2PRMT5
SCHEMBL17865967 0.61 AURKA (0.42) CSNK1A1PTK2AURKBCA2TMEM97
SCHEMBL17865976 0.61 CCNA2 (0.44) ABL1CSNK1A1CDK5CA2SRC

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-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed