SCHEMBL28438540

SCHEMBL28438540

Cc1cc(Br)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.42
RAF1 P04049 1/20 0.40
KIF18A Q8NI77 4/20 0.34
GPR119 Q8TDV5 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL28436519 0.89 RET (0.41) RETRAF1CKS1BSKP1SKP2
SCHEMBL30111209 0.80 RET (0.47) RETRAF1GPR119CKS1BSKP1
SCHEMBL24879320 0.80 RET (0.47) RETRAF1GPR119CKS1BSKP1
SCHEMBL23647637 0.79 RET (0.49) RETGPR119
SCHEMBL30511931 0.79 RET (0.45) RETRAF1CKS1BSKP1SKP2
SCHEMBL19785238 0.79 RET (0.45) RETRAF1CKS1BSKP1SKP2
SCHEMBL22791979 0.78 RET (0.41) RETRAF1CKS1BSKP1SKP2
SCHEMBL30453246 0.78 RET (0.37) RETRAF1KIF18AGPR119
SCHEMBL23657205 0.78 RET (0.47) RETRAF1GPR119
SCHEMBL29770946 0.78 RET (0.47) RETRAF1GPR119

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-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed
CN-111484479-A Nitrogen heterocyclic compound, pharmaceutical composition containing nitrogen heterocyclic compound, preparation method and application of nitrogen heterocyclic compound 四川科伦博泰生物医药股份有限公司 2020-08-04 CN disclosed