SCHEMBL7693305

SCHEMBL7693305

COCCNC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.42
AURKA O14965 4/20 0.42
TEK Q02763 4/20 0.42
MET P08581 3/20 0.42
AURKB Q96GD4 2/20 0.40
LCK P06239 2/20 0.40
LYN P07948 1/20 0.40
FLT1 P17948 1/20 0.40
ADRB3 P13945 5/20 0.39
ADRB1 P08588 3/20 0.39
LOX P28300 4/20 0.37
LOXL2 Q9Y4K0 4/20 0.37
KMT2A Q03164 1/20 0.37
PDGFRA P16234 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7693306 1.00 KDR (0.42) KDRAURKATEKMETAURKB
SCHEMBL7688880 0.94 KDR (0.39) KDRAURKATEKMETLCK
SCHEMBL7688878 0.94 KDR (0.39) KDRAURKATEKMETLCK
SCHEMBL7688932 0.93 ADRB3 (0.39) KDRAURKATEKMETAURKB
SCHEMBL7688930 0.93 ADRB3 (0.39) KDRAURKATEKMETAURKB
SCHEMBL7692428 0.91 ADRB3 (0.37) KDRAURKATEKMETLCK
SCHEMBL7689699 0.90 ADRB3 (0.38) KDRMETADRB3ADRB1PDGFRA
SCHEMBL7689702 0.90 ADRB3 (0.38) KDRMETADRB3ADRB1PDGFRA
SCHEMBL7687573 0.89 ADRB3 (0.36) KDRADRB3ADRB1PDGFRAADRB2
SCHEMBL7687570 0.89 ADRB3 (0.36) KDRADRB3ADRB1PDGFRAADRB2

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed