SCHEMBL6777397

SCHEMBL6777397

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.46
RPS6KB1 P23443 4/20 0.46
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 1/20 0.41
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK2 P49760 1/20 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
SCHEMBL6766687 0.93 RPS6KB1 (0.53) SYKRPS6KB1CDK2CDK9CCNT1
SCHEMBL6608523 0.90 SYK (0.48) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL6770161 0.88 SYK (0.47) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL7083122 0.85 RPS6KB1 (0.49) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL6769860 0.85 SYK (0.52) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL6766065 0.84 SYK (0.51) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL6766170 0.84 KDR (0.46) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL6771304 0.83 SYK (0.47) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL761284 0.82 SYK (0.54) SYKRPS6KB1PDGFRBPDGFRACDK2
SCHEMBL6770452 0.82 RPS6KB1 (0.51) SYKRPS6KB1MAPK1HTTJAK3

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