SCHEMBL7986885

SCHEMBL7986885

COc1cccc(-c2cncc(-c3cn(CCN4CCOCC4)c4ccc(C#N)cc34)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.42
USP2 O75604 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CNR2 P34972 2/20 0.42
PRKCQ Q04759 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL7504415 0.92 KDR (0.50) KDRFLT1FLT4ALDH1A1PRKCQ
SCHEMBL7990446 0.90 KDR (0.56) KDRFLT1FLT4CYP1A2CYP3A4
SCHEMBL7513759 0.88 KDR (0.59) KDRFLT1FLT4CYP1A2CYP3A4
SCHEMBL7556122 0.88 KDR (0.51) KDRFLT1FLT4ALDH1A1PRKCQ
SCHEMBL7553762 0.88 KDR (0.53) KDRFLT1FLT4PRKCQGSK3B
SCHEMBL7991259 0.87 KDR (0.53) KDRFLT1FLT4CYP1A2CYP3A4
SCHEMBL7976794 0.87 KDR (0.53) KDRFLT1FLT4CYP1A2CYP3A4
SCHEMBL7990934 0.87 KDR (0.66) KDRFLT1FLT4CYP1A2CYP3A4
SCHEMBL7991015 0.84 KDR (0.59) KDRFLT1FLT4CYP1A2CYP3A4
SCHEMBL7987902 0.84 KDR (0.53) KDRFLT1FLT4CYP1A2CYP3A4

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-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed