SCHEMBL31531371

SCHEMBL31531371

Nc1noc2cccc(-c3ccc4[nH]ccc4c3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.59
KIT P10721 13/20 0.59
FLT3 P36888 10/20 0.59
MAP4K4 O95819 2/20 0.58
PDGFRB P09619 2/20 0.58
PIM1 P11309 2/20 0.58
FGFR1 P11362 2/20 0.58
PDGFRA P16234 2/20 0.58
PRKACA P17612 2/20 0.58
LTK P29376 2/20 0.58
GRK5 P34947 2/20 0.58
CDK8 P49336 2/20 0.58
CDK7 P50613 2/20 0.58
CDK9 P50750 2/20 0.58
LIMK1 P53667 2/20 0.58
MAP2K1 Q02750 2/20 0.58
ACVR1 Q04771 2/20 0.58
MST1R Q04912 2/20 0.58
MAP4K2 Q12851 2/20 0.58
ROCK1 Q13464 2/20 0.58

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
SCHEMBL419502 0.76 KDR (0.62) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL29968270 0.76 KDR (0.62) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL24288738 0.75 KDR (0.64) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL423711 0.75 KDR (1.00) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL31531281 0.74 KDR (0.64) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL31531418 0.74 KDR (0.64) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL398355 0.72 NPC1 (0.61) LRRK2NPC1
SCHEMBL5441099 0.72 PI4K2A (0.49) DYRK1ALRRK2DYRK1BLCKNPC1
SCHEMBL31531347 0.71 KDR (0.63) KDRKITFLT3MAP4K4PDGFRB
SCHEMBL31531400 0.71 KDR (0.68) KDRKITFLT3MAP4K4PDGFRB

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