SCHEMBL29928786

SCHEMBL29928786

Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1ccnc(N2CCOCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 1.00
AXL P30530 12/20 0.75
FLT3 P36888 1/20 0.61

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
SCHEMBL4238435 1.00 BACE1 (1.00) BACE1AXLFLT3
SCHEMBL14275575 0.86 BACE1 (0.75) BACE1AXLFLT3
SCHEMBL4242147 0.85 BACE1 (1.00) BACE1AXLFLT3
SCHEMBL29929435 0.85 BACE1 (1.00) BACE1AXLFLT3
SCHEMBL4991637 0.84 BACE1 (0.73) BACE1AXL
SCHEMBL29929832 0.84 BACE1 (0.73) BACE1AXL
SCHEMBL14275568 0.82 BACE1 (0.69) BACE1AXLFLT3
SCHEMBL29928365 0.82 BACE1 (0.75) BACE1AXL
SCHEMBL4038503 0.81 BACE1 (0.67) BACE1AXLFLT3
SCHEMBL4233948 0.80 AXL (0.77) 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