SCHEMBL5828856

SCHEMBL5828856

C=CCN/C(=N\c1ncnc2cc(OCCCN3CCCC3)c(OC)cc12)Nc1c(C)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.48
FLT1 P17948 13/20 0.48
FLT4 P35916 13/20 0.48
SRC P12931 2/20 0.47
CSK P41240 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
EGFR P00533 3/20 0.47
RET P07949 1/20 0.46

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
SCHEMBL5828858 1.00 KDR (0.48) KDRFLT1FLT4SRCCSK
SCHEMBL6984923 0.86 EGFR (0.52) KDRFLT1FLT4SRCCSK
SCHEMBL5827935 0.80 EGFR (0.50) KDRFLT1FLT4EGFRRET
SCHEMBL5827933 0.80 EGFR (0.50) KDRFLT1FLT4EGFRRET
SCHEMBL5828263 0.80 PDGFRB (0.52) KDRFLT1FLT4EGFRRET
SCHEMBL5828257 0.80 PDGFRB (0.52) KDRFLT1FLT4EGFRRET
SCHEMBL5496207 0.79 SRC (0.58) KDRFLT1FLT4SRCCSK
SCHEMBL4687659 0.79 SRC (0.58) KDRFLT1FLT4SRCCSK
SCHEMBL5828192 0.78 SRC (0.52) KDRFLT1FLT4SRCCSK
SCHEMBL5828191 0.78 SRC (0.52) KDRFLT1FLT4SRCCSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US claimed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed