SCHEMBL5828619

SCHEMBL5828619

C#CC/N=C(\Nc1c(C)cccc1Cl)Nc1ncnc2cc(OCC3CCN(C)CC3)c(OC)cc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.58
KDR P35968 6/20 0.56
SRC P12931 2/20 0.56
CSK P41240 1/20 0.56
TEK Q02763 1/20 0.56
FGFR1 P11362 3/20 0.54
FLT1 P17948 3/20 0.54
FLT4 P35916 3/20 0.54
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52

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
SCHEMBL5828623 1.00 EGFR (0.58) EGFRKDRSRCCSKTEK
SCHEMBL4691264 0.92 EGFR (0.61) EGFRKDRSRCCSKTEK
SCHEMBL6980090 0.91 EGFR (0.60) EGFRKDRSRCCSKTEK
SCHEMBL5498170 0.86 EGFR (0.64) EGFRKDRSRCCSKTEK
SCHEMBL4686372 0.86 EGFR (0.64) EGFRKDRSRCCSKTEK
SCHEMBL4430065 0.81 EGFR (0.68) EGFRKDRSRCCSKTEK
SCHEMBL4689388 0.81 EGFR (0.68) EGFRKDRSRCCSKTEK
SCHEMBL4423483 0.80 EGFR (0.62) EGFRKDRSRCCSKTEK
SCHEMBL4427825 0.80 EGFR (0.62) EGFRKDRSRCCSKTEK
SCHEMBL5496194 0.80 KDR (0.67) EGFRKDRFGFR1FLT1FLT4

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