SCHEMBL6777904

SCHEMBL6777904

CSc1ncc(C(=O)NN2CCN(C)CC2)c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.51
PDGFRA P16234 11/20 0.51
EGFR P00533 2/20 0.50
FGFR1 P11362 2/20 0.50
SYK P43405 6/20 0.47
KDR P35968 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 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
SCHEMBL6769723 0.93 EGFR (0.50) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL6765966 0.87 PDGFRB (0.62) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL7077567 0.85 PDGFRB (0.52) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL6769860 0.84 SYK (0.52) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL6769054 0.83 ROCK1 (0.54) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL761284 0.82 SYK (0.54) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL6610211 0.81 SYK (0.55) PDGFRBPDGFRAEGFRSYKKDR
SCHEMBL761282 0.81 SYK (0.66) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL6770721 0.80 PDGFRB (0.53) PDGFRBPDGFRAEGFRFGFR1SYK
SCHEMBL20354302 0.80 SYK (0.52) EGFRFGFR1SYKKDRCHEK1

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