SCHEMBL30218976

SCHEMBL30218976

CC(C)(O)C1CN(c2nccc(Sc3cnc(N4CCC5(CC4)CCC4(CC4)C5N)c(CO)n3)c2Cl)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.72

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
SCHEMBL24151035 1.00 PTPN11 (0.72) PTPN11
SCHEMBL25250903 1.00 PTPN11 (0.72) PTPN11
SCHEMBL25290145 0.95 PTPN11 (0.65) PTPN11
SCHEMBL25250094 0.95 PTPN11 (0.65) PTPN11
SCHEMBL25801420 0.93 PTPN11 (0.61) PTPN11
SCHEMBL25251300 0.90 PTPN11 (0.59) PTPN11
SCHEMBL25296536 0.90 PTPN11 (0.58) PTPN11
SCHEMBL25257923 0.90 PTPN11 (0.58) PTPN11
SCHEMBL25260746 0.89 PTPN11 (0.76) PTPN11
SCHEMBL24151252 0.89 PTPN11 (0.55) PTPN11

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-115667239-A Substituted pyrazines, pharmaceutical compositions comprising them and their use 四川科伦博泰生物医药股份有限公司 2023-01-31 CN disclosed