SCHEMBL29929698

SCHEMBL29929698

CC1CCCN1CCOc1ccc(Nc2nc(N)n(-c3nccs3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.71
AXL P30530 10/20 0.56

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
SCHEMBL29929719 0.85 BACE1 (0.68) BACE1AXL
SCHEMBL4993710 0.83 BACE1 (1.00) BACE1AXL
SCHEMBL29929676 0.81 BACE1 (1.00) BACE1AXL
SCHEMBL4236863 0.81 BACE1 (1.00) BACE1AXL
SCHEMBL4256872 0.80 BACE1 (1.00) BACE1AXL
SCHEMBL4986337 0.80 BACE1 (1.00) BACE1AXL
SCHEMBL4991658 0.78 BACE1 (1.00) BACE1AXL
SCHEMBL4037206 0.77 FLT3 (0.46) BACE1AXL
SCHEMBL28861631 0.72 BACE1 (0.56) BACE1
SCHEMBL3961282 0.72 AXL (1.00) BACE1AXL

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