SCHEMBL6766065

SCHEMBL6766065

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.51
MKNK1 Q9BUB5 1/20 0.46
DAPK3 O43293 2/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 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
CLK2 P49760 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
DYRK1A Q13627 2/20 0.45
PKN2 Q16513 2/20 0.45
HIPK2 Q9H2X6 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
SCHEMBL6769846 0.92 MKNK1 (0.55) SYKMKNK1MAPK1HTTROCK2
SCHEMBL6771304 0.88 SYK (0.47) SYKMKNK1DAPK3PRKD3MAP4K4
SCHEMBL761284 0.88 SYK (0.54) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL761282 0.87 SYK (0.66) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL6769860 0.86 SYK (0.52) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL20354302 0.86 SYK (0.52) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL6777397 0.84 SYK (0.46) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL762039 0.83 SYK (0.67) SYKMAPK1HTTEGFRLMNA
SCHEMBL6608523 0.82 SYK (0.48) SYKDAPK3PRKD3MAP4K4PAK4
SCHEMBL6610211 0.82 SYK (0.55) SYKDAPK3PRKD3MAP4K4PAK4

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