SCHEMBL29928522

SCHEMBL29928522

Nc1nc(Nc2ccc(OCCN3CCCC3)c(Cl)c2)nn1-c1nccs1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.71
AXL P30530 12/20 0.61
INSR P06213 4/20 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
SCHEMBL29927647 0.90 AXL (0.71) BACE1AXLINSR
SCHEMBL29929719 0.85 BACE1 (0.68) BACE1AXLINSR
SCHEMBL4252593 0.83 AXL (0.81) BACE1AXLINSR
SCHEMBL4996645 0.83 BACE1 (1.00) BACE1AXLINSR
SCHEMBL4240361 0.80 AXL (0.68) BACE1AXLINSR
SCHEMBL4997740 0.79 BACE1 (1.00) BACE1AXLINSR
SCHEMBL4237828 0.76 AXL (1.00) BACE1AXLINSR
SCHEMBL4997728 0.76 AXL (0.77) BACE1AXLINSR
SCHEMBL1167180 0.75 AXL (0.61) BACE1AXLINSR
SCHEMBL4044502 0.75 FLT3 (0.65) AXLINSR

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