SCHEMBL5828192

SCHEMBL5828192

CNCCCN=C(Nc1c(C)cccc1Cl)Nc1ncnc2cc(OCCCN3CCCC3)c(OC)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.52
EGFR P00533 11/20 0.52
KDR P35968 12/20 0.52
EPHB4 P54760 3/20 0.52
CSK P41240 1/20 0.52
TEK Q02763 1/20 0.52
RET P07949 2/20 0.51
KIF5B P33176 1/20 0.50
AURKA O14965 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
EPHA2 P29317 2/20 0.49

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
SCHEMBL5828191 1.00 SRC (0.52) SRCEGFRKDREPHB4CSK
SCHEMBL5496207 0.85 SRC (0.58) SRCEGFRKDREPHB4CSK
SCHEMBL4687659 0.85 SRC (0.58) SRCEGFRKDREPHB4CSK
SCHEMBL5496725 0.78 KDR (0.62) EGFRKDRRETKIF5BAURKA
SCHEMBL6980090 0.78 EGFR (0.60) SRCEGFRKDRCSKTEK
SCHEMBL5828858 0.78 KDR (0.48) SRCEGFRKDREPHB4CSK
SCHEMBL6984923 0.78 EGFR (0.52) SRCEGFRKDREPHB4CSK
SCHEMBL5828856 0.78 KDR (0.48) SRCEGFRKDREPHB4CSK
SCHEMBL4422030 0.76 EGFR (0.57) EGFRKDRAURKA
SCHEMBL4691264 0.76 EGFR (0.61) SRCEGFRKDRCSKTEK

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