SCHEMBL6766487

SCHEMBL6766487

CC[C@H](CO)NC(=O)c1cnc(SC)nc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.47
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KDR P35968 2/20 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
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
CDK2 P24941 2/20 0.40
FLT3 P36888 2/20 0.40
CSNK1A1 P48729 2/20 0.40
CLK2 P49760 2/20 0.40
CDK9 P50750 2/20 0.40
JAK3 P52333 2/20 0.40
CDK5 Q00535 2/20 0.40
MAP4K2 Q12851 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
SCHEMBL6769860 0.84 SYK (0.52) SYKMAPK1HTTLMNAMAPT
SCHEMBL6608523 0.83 SYK (0.48) SYKMAPK1HTTLMNAMAPT
SCHEMBL761284 0.82 SYK (0.54) SYKMAPK1HTTKDRDAPK3
SCHEMBL761282 0.81 SYK (0.66) SYKMAPK1HTTKDRDAPK3
SCHEMBL6769801 0.81 SYK (0.48) SYKMAPK1HTTLMNAMAPT
SCHEMBL762039 0.81 SYK (0.67) SYKMAPK1HTTLMNAMAPT
SCHEMBL6770161 0.80 SYK (0.47) SYKMAPK1HTTLMNAMAPT
SCHEMBL20354302 0.80 SYK (0.52) SYKMAPK1HTTLMNAMAPT
SCHEMBL6610211 0.80 SYK (0.55) SYKMAPK1MAPTKDRDAPK3
SCHEMBL6777397 0.79 SYK (0.46) SYKMAPK1HTTLMNAMAPT

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