SCHEMBL31531320

SCHEMBL31531320

Nc1noc2cccc(-c3ccc(CC(=O)O)cc3)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.63
KIT P10721 14/20 0.63
FLT3 P36888 10/20 0.63
MET P08581 5/20 0.58
SRC P12931 2/20 0.54
PLK4 O00444 1/20 0.54
ROCK2 O75116 1/20 0.54
RPS6KA5 O75582 1/20 0.54
MAP4K4 O95819 1/20 0.54
RET P07949 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
MAP2K2 P36507 1/20 0.54
FRK P42685 1/20 0.54

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
SCHEMBL423711 0.78 KDR (1.00) KDRKITFLT3METSRC
SCHEMBL420317 0.77 KIT (1.00) KDRKITFLT3SRCABL1
SCHEMBL424318 0.76 KIT (1.00) KDRKITFLT3METSRC
SCHEMBL5301508 0.76 KDR (0.62) KDRKITFLT3METSRC
SCHEMBL31531246 0.74 KIT (0.65) KDRKITFLT3MET
SCHEMBL420858 0.74 KDR (0.63) KDRKITFLT3METSRC
SCHEMBL31531400 0.73 KDR (0.68) KDRKITFLT3METSRC
SCHEMBL422109 0.73 KIT (1.00) KDRKITFLT3METSRC
SCHEMBL420576 0.73 KIT (1.00) KDRKITFLT3METSRC
SCHEMBL28757593 0.72 KDR (0.53) KDRKITFLT3METSRC

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
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN disclosed