SCHEMBL7987083

SCHEMBL7987083

Clc1cccc(-c2cncc(-c3cn(CCN4CCOCC4)c4ccccc34)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.69
FLT1 P17948 3/20 0.69
FLT4 P35916 3/20 0.69
GSK3B P49841 2/20 0.48
NFATC1 O95644 1/20 0.48
DYRK1A Q13627 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL7976802 0.92 KDR (0.59) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7976928 0.92 KDR (0.59) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7553508 0.91 KDR (0.69) KDRFLT1FLT4CNR1CNR2
SCHEMBL7548749 0.90 KDR (0.72) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7502516 0.90 KDR (0.77) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7986598 0.87 KDR (0.53) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7991008 0.87 KDR (0.62) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7986691 0.87 KDR (0.62) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7987902 0.86 KDR (0.53) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7991259 0.86 KDR (0.53) KDRFLT1FLT4GSK3BNFATC1

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