SCHEMBL29929779

SCHEMBL29929779

COc1cc2c(-n3nc(Nc4ccc(OCCN5CCCC5)cc4)nc3N)ncnc2cc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AXL P30530 13/20 0.70
INSR P06213 10/20 0.70
ATM Q13315 3/20 0.60
KDR P35968 3/20 0.60
BACE1 P56817 7/20 0.59

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
SCHEMBL4992512 1.00 AXL (0.70) AXLINSRATMKDRBACE1
SCHEMBL4986553 0.93 AXL (0.80) AXLINSRATMKDRBACE1
SCHEMBL4237828 0.83 AXL (1.00) AXLINSRATMKDRBACE1
SCHEMBL29928453 0.83 AXL (0.75) AXLINSRBACE1
SCHEMBL4992416 0.83 AXL (0.75) AXLINSRBACE1
SCHEMBL4235789 0.81 BACE1 (0.66) AXLINSRBACE1
SCHEMBL29928116 0.81 BACE1 (0.66) AXLINSRBACE1
SCHEMBL4993107 0.80 AXL (1.00) AXLINSRBACE1
SCHEMBL4986245 0.80 AXL (1.00) AXLINSRBACE1
SCHEMBL4997147 0.78 AXL (0.77) AXLINSRATMKDRBACE1

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