SCHEMBL29929656

SCHEMBL29929656

Nc1nc(Nc2cccc(O)c2)nn1-c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 0.72
KIT P10721 11/20 0.72
IRAK4 Q9NWZ3 4/20 0.64
AURKA O14965 2/20 0.64
JAK2 O60674 2/20 0.64
AXL P30530 4/20 0.60
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
MET P08581 1/20 0.48
PDGFRB P09619 1/20 0.48
SRC P12931 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
JAK3 P52333 1/20 0.48
TEK Q02763 1/20 0.48
KARS1 Q15046 1/20 0.48
SYK P43405 1/20 0.47

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
SCHEMBL3955894 1.00 FLT3 (0.72) FLT3KITIRAK4AURKAJAK2
SCHEMBL4037878 0.86 FLT3 (0.73) FLT3KITIRAK4AURKAJAK2
SCHEMBL4039004 0.85 FLT3 (0.69) FLT3KITIRAK4AURKAJAK2
SCHEMBL4039203 0.84 FLT3 (0.73) FLT3KITIRAK4AURKAJAK2
SCHEMBL4046870 0.84 FLT3 (1.00) FLT3KITIRAK4AURKAJAK2
SCHEMBL4040331 0.82 FLT3 (0.65) FLT3KITIRAK4AURKAJAK2
SCHEMBL4041779 0.82 FLT3 (0.72) FLT3KITIRAK4AURKAJAK2
SCHEMBL4044746 0.81 FLT3 (0.67) FLT3KITIRAK4AURKAJAK2
SCHEMBL4041751 0.81 FLT3 (0.72) FLT3KITIRAK4AURKAJAK2
SCHEMBL4041560 0.81 FLT3 (0.60) FLT3KITIRAK4AURKAJAK2

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