SCHEMBL6769860

SCHEMBL6769860

CNC(=O)c1cnc(SC)nc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.52
KDR P35968 2/20 0.46
MAP4K4 O95819 3/20 0.45
CLK2 P49760 3/20 0.45
DYRK1A Q13627 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
DAPK3 O43293 2/20 0.45
PRKD3 O94806 2/20 0.45
PAK4 O96013 2/20 0.45
PIM1 P11309 2/20 0.45
PRKACA P17612 2/20 0.45
CDK2 P24941 2/20 0.45
FLT3 P36888 2/20 0.45
CSNK1A1 P48729 2/20 0.45
CDK9 P50750 2/20 0.45
JAK3 P52333 2/20 0.45
CDK5 Q00535 2/20 0.45
MAP4K2 Q12851 2/20 0.45
STK3 Q13188 2/20 0.45
PKN2 Q16513 2/20 0.45

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
SCHEMBL6769085 0.92 SYK (0.52) SYKKDRMAPK1HTTNPC1
SCHEMBL761284 0.89 SYK (0.54) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL761282 0.88 SYK (0.66) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL20354302 0.87 SYK (0.52) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL6608523 0.87 SYK (0.48) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL6610211 0.87 SYK (0.55) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL6766065 0.86 SYK (0.51) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL6770161 0.85 SYK (0.47) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL6777397 0.85 SYK (0.46) SYKKDRMAP4K4CLK2DYRK1A
SCHEMBL6766487 0.84 SYK (0.47) SYKKDRMAP4K4CLK2DYRK1A

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-6762189-B1 HEPATITIS B VIRUS AND HUMAN IMMUNODEFICIENCY VIRUS ANTIPROLIFERATION AGENTS; REDUCED CHANCE OF TOXICITY, SIDE EFFECTS, AND DEVELOPMENT OF RESISTANT VIRAL STRAINS DONG WHA PHARM. IND. CO., LTD. (KR) 2004-07-13 US disclosed