SCHEMBL6771304

SCHEMBL6771304

CSc1ncc(C(=O)N(C)CCO)c(Nc2ccc3cn[nH]c3c2)n1

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
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
PAK4 O96013 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
CDK2 P24941 2/20 0.41
FLT3 P36888 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CLK2 P49760 2/20 0.41
CDK9 P50750 2/20 0.41
JAK3 P52333 2/20 0.41
CDK5 Q00535 2/20 0.41
MAP4K2 Q12851 2/20 0.41
STK3 Q13188 2/20 0.41
DYRK1A Q13627 2/20 0.41
PKN2 Q16513 2/20 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
SCHEMBL6766065 0.88 SYK (0.51) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL761284 0.83 SYK (0.54) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL6608523 0.83 SYK (0.48) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL6777397 0.83 SYK (0.46) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL761282 0.82 SYK (0.66) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL20354302 0.81 SYK (0.52) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL6769860 0.81 SYK (0.52) SYKMAPK1HTTDAPK3PRKD3
SCHEMBL6769846 0.81 MKNK1 (0.55) SYKMAPK1HTTMKNK1ROCK2
SCHEMBL762039 0.80 SYK (0.67) SYKMAPK1HTTLMNAMAPT
SCHEMBL6766160 0.79 PDGFRB (0.52) SYKJAK3PDGFRBPDGFRAEGFR

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