SCHEMBL7986691

SCHEMBL7986691

Clc1ccc2c(-c3cncc(-c4ccccc4)c3)cn(CCN3CCOCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.62
FLT1 P17948 3/20 0.62
FLT4 P35916 3/20 0.62
NFATC1 O95644 1/20 0.49
GSK3B P49841 1/20 0.49
DYRK1A Q13627 1/20 0.49
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SLC2A2 P11168 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC2A1 P11166 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
SCHEMBL7986743 0.94 KDR (0.59) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7976928 0.93 KDR (0.59) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7991008 0.92 KDR (0.62) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7555564 0.91 KDR (0.62) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7548749 0.89 KDR (0.72) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7502516 0.88 KDR (0.77) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7988266 0.88 KDR (0.53) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7986681 0.87 KDR (0.53) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7987083 0.87 KDR (0.69) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7993928 0.86 KDR (0.78) KDRFLT1FLT4NFATC1GSK3B

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