SCHEMBL7990519

SCHEMBL7990519

COc1ccc(-c2cncc(-c3cn(CCN4CCOCC4)c4ccc(Cl)cc34)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
CNR2 P34972 5/20 0.47
NFATC1 O95644 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
SLC2A1 P11166 2/20 0.43
FLT3 P36888 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41
CNR1 P21554 3/20 0.41
PIK3CD O00329 1/20 0.41
PRKDC P78527 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7990472 0.94 KDR (0.53) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7988266 0.93 KDR (0.53) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7550594 0.92 KDR (0.56) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7554609 0.92 KDR (0.52) KDRFLT1FLT4GSK3BFLT3
SCHEMBL7976570 0.91 KDR (0.59) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7976794 0.90 KDR (0.53) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7987902 0.88 KDR (0.53) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7990662 0.88 KDR (0.68) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7991008 0.88 KDR (0.62) KDRFLT1FLT4CNR2NFATC1
SCHEMBL7991015 0.87 KDR (0.59) KDRFLT1FLT4CNR2NFATC1

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