SCHEMBL6769801

SCHEMBL6769801

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.48
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 2/20 0.41
RET P07949 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 1/20 0.39
CSNK1A1 P48729 1/20 0.39

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
SCHEMBL6776762 0.93 SYK (0.48) SYKLMNAMAPTMAPK1HTT
SCHEMBL20354302 0.82 SYK (0.52) SYKLMNAMAPTMAPK1HTT
SCHEMBL6769860 0.82 SYK (0.52) SYKLMNAMAPTMAPK1HTT
SCHEMBL6770161 0.82 SYK (0.47) SYKLMNAMAPTMAPK1HTT
SCHEMBL6766487 0.81 SYK (0.47) SYKLMNAMAPTMAPK1HTT
SCHEMBL761284 0.80 SYK (0.54) SYKMAPK1HTTKDRRET
SCHEMBL761282 0.79 SYK (0.66) SYKMAPK1HTTKDRRET
SCHEMBL762039 0.79 SYK (0.67) SYKLMNAMAPTMAPK1HTT
SCHEMBL6608523 0.78 SYK (0.48) SYKLMNAMAPTMAPK1HTT
SCHEMBL6610211 0.78 SYK (0.55) SYKMAPTMAPK1KDRKDM4E

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