SCHEMBL29927675

SCHEMBL29927675

CN1CCN(c2ccc(Nc3nc(N)n(-c4nccc5ccccc45)n3)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.80
FLT3 P36888 3/20 0.68
KDR P35968 4/20 0.61
INSR P06213 1/20 0.61
HRH4 Q9H3N8 1/20 0.54
KIT P10721 2/20 0.53
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
TTK P33981 1/20 0.50
KDM1A O60341 1/20 0.48
GLA P06280 1/20 0.48
SLC2A1 P11166 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
EGFR P00533 1/20 0.48
BACE1 P56817 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
SCHEMBL4994495 1.00 AXL (0.80) AXLFLT3KDRINSRHRH4
SCHEMBL29928998 0.89 AXL (1.00) AXLFLT3KITTTKSLC2A1
SCHEMBL4253962 0.89 AXL (1.00) AXLFLT3KITTTKSLC2A1
SCHEMBL3953555 0.88 AXL (0.73) AXLFLT3KDRINSRKIT
SCHEMBL4987947 0.87 AXL (0.62) AXLFLT3KDRINSRHRH4
SCHEMBL29928096 0.85 AXL (0.62) AXLFLT3KDRINSRHRH4
SCHEMBL4995010 0.85 AXL (0.62) AXLFLT3KDRINSRHRH4
SCHEMBL4236700 0.85 AXL (0.59) AXLFLT3KDRINSRHRH4
SCHEMBL4242293 0.85 AXL (0.73) AXLFLT3KDRINSRKIT
SCHEMBL30373558 0.85 AXL (0.73) AXLFLT3KDRINSRKIT

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