SCHEMBL29929231

SCHEMBL29929231

COC(=O)C1CCCN1CCOc1ccc(Nc2nc(N)n(-c3nc4ccccc4s3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AXL P30530 8/20 1.00
BACE1 P56817 14/20 0.78
LTA4H P09960 2/20 0.51
INSR P06213 3/20 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
SCHEMBL3961282 1.00 AXL (1.00) AXLBACE1LTA4HINSR
SCHEMBL4993710 0.88 BACE1 (1.00) AXLBACE1INSR
SCHEMBL3956661 0.85 BACE1 (1.00) AXLBACE1LTA4HINSR
SCHEMBL29929122 0.85 BACE1 (1.00) AXLBACE1LTA4HINSR
SCHEMBL4993732 0.82 BACE1 (1.00) AXLBACE1INSR
SCHEMBL12780837 0.76 BACE1 (0.67) AXLBACE1
SCHEMBL12780841 0.72 KIT (0.62) AXLBACE1
SCHEMBL12780920 0.72 BACE1 (0.57) AXLBACE1
SCHEMBL4986337 0.72 BACE1 (1.00) AXLBACE1INSR
SCHEMBL4256872 0.72 BACE1 (1.00) AXLBACE1INSR

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