SCHEMBL3962043

SCHEMBL3962043

[CH2]c1ccc(Cl)cc1Nc1ncnc2cc(OC)c(OC(C)=O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.62
KDR P35968 15/20 0.60
FLT1 P17948 2/20 0.60
FGFR1 P11362 1/20 0.60
EPHB2 P29323 1/20 0.60
FLT4 P35916 1/20 0.60
HDAC3 O15379 9/20 0.58
HDAC4 P56524 9/20 0.58
HDAC1 Q13547 9/20 0.58
HDAC7 Q8WUI4 9/20 0.58
HDAC2 Q92769 9/20 0.58
HDAC10 Q969S8 9/20 0.58
HDAC11 Q96DB2 9/20 0.58
HDAC8 Q9BY41 9/20 0.58
HDAC6 Q9UBN7 9/20 0.58
HDAC9 Q9UKV0 9/20 0.58
HDAC5 Q9UQL6 9/20 0.58
EGFR P00533 4/20 0.54
RET P07949 4/20 0.54
KIF5B P33176 4/20 0.54

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
SCHEMBL535722 0.86 SRC (0.57) SRCKDRFLT1FGFR1EPHB2
SCHEMBL6046871 0.84 EGFR (0.62) SRCKDRFLT1FGFR1EPHB2
SCHEMBL5239666 0.84 KDR (0.80) KDRFLT1FLT4HDAC3HDAC4
SCHEMBL3958826 0.84 EGFR (0.62) SRCKDRFLT1FGFR1EPHB2
SCHEMBL17179601 0.81 EGFR (0.68) SRCKDRFLT1FGFR1EPHB2
SCHEMBL6046878 0.80 KDR (0.56) KDRFLT1FGFR1EPHB2FLT4
SCHEMBL6046884 0.80 KDR (0.63) SRCKDRFLT1FGFR1EPHB2
SCHEMBL13404545 0.80 EGFR (0.54) SRCKDRFLT1FGFR1EPHB2
SCHEMBL6664906 0.80 SRC (0.68) SRCKDRFLT1FGFR1EPHB2
SCHEMBL3957994 0.80 KDR (0.59) SRCKDRFLT1FGFR1FLT4

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
EP-2077845-A2 MACROCYCLIC QUINAZOLINE DERIVATIVES AS VEGFR3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-15 EP disclosed
WO-2008049902-A2 MACROCYCLIC QUINAZOLINE DERIVATIVES AS VEGFR3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO disclosed