SCHEMBL29927682

SCHEMBL29927682

COc1cc2ccnc(-n3nc(Nc4ccc(C5CCN(C)CC5)cc4)nc3N)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 12/20 0.77
KDR P35968 7/20 0.77
INSR P06213 6/20 0.77
FLT3 P36888 6/20 0.59
KIT P10721 3/20 0.59
MAP4K1 Q92918 2/20 0.47
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
FGFR3 P22607 1/20 0.42
JAK3 P52333 1/20 0.42
TEK Q02763 1/20 0.42
KARS1 Q15046 1/20 0.42
TTK P33981 1/20 0.41

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
SCHEMBL4236664 1.00 AXL (0.77) AXLKDRINSRFLT3KIT
SCHEMBL4997718 0.87 AXL (1.00) AXLKDRINSRFLT3KIT
SCHEMBL29928442 0.84 FLT3 (0.69) AXLKDRINSRFLT3KIT
SCHEMBL4986533 0.84 FLT3 (0.69) AXLKDRINSRFLT3KIT
SCHEMBL3963556 0.83 AXL (0.89) AXLKDRINSRFLT3KIT
SCHEMBL29928415 0.83 AXL (0.89) AXLKDRINSRFLT3KIT
SCHEMBL4235789 0.79 BACE1 (0.66) AXLINSR
SCHEMBL29928116 0.79 BACE1 (0.66) AXLINSR
SCHEMBL3959517 0.79 AXL (0.62) AXLKDRINSRFLT3KIT
SCHEMBL29929865 0.77 AXL (1.00) AXLKDRINSRFLT3KIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN claimed
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed