SCHEMBL29928170

SCHEMBL29928170

Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(Cl)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 1.00
AXL P30530 12/20 1.00
INSR P06213 6/20 1.00

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
SCHEMBL4236047 1.00 BACE1 (1.00) BACE1AXLINSR
SCHEMBL4248294 0.90 AXL (1.00) BACE1AXLINSR
SCHEMBL29927868 0.90 AXL (1.00) BACE1AXLINSR
SCHEMBL3965030 0.87 BACE1 (0.77) BACE1AXLINSR
SCHEMBL29928453 0.86 AXL (0.75) BACE1AXLINSR
SCHEMBL4992416 0.86 AXL (0.75) BACE1AXLINSR
SCHEMBL29928959 0.85 BACE1 (1.00) BACE1AXLINSR
SCHEMBL4994697 0.85 BACE1 (1.00) BACE1AXLINSR
SCHEMBL4991682 0.84 AXL (0.73) BACE1AXLINSR
SCHEMBL4989689 0.84 AXL (0.73) BACE1AXLINSR

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