SCHEMBL30877299

SCHEMBL30877299

Cc1ccc(S(=O)(=O)n2cccc2-c2cnn(CCCN(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
FLT3 P36888 4/20 0.37
MET P08581 1/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ALOX15 P16050 1/20 0.36
CLK4 Q9HAZ1 2/20 0.35
ROCK2 O75116 1/20 0.35
PHKG1 Q16816 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PAICS P22234 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL30877418 0.87 RAPGEF4 (0.43) HTR6RAPGEF4METCA2KDM4E
SCHEMBL30877275 0.85 RAPGEF4 (0.45) HTR6RAPGEF4CA2KDM4EL3MBTL1
SCHEMBL30877469 0.84 HTR6 (0.39) HTR6FLT3METCA2CA12
SCHEMBL30877318 0.80 RAPGEF4 (0.44) HTR6RAPGEF4CA2KDM4EGLA
SCHEMBL30877392 0.80 RAPGEF4 (0.48) HTR6RAPGEF4CA2KDM4EL3MBTL1
SCHEMBL30877493 0.80 RAPGEF4 (0.40) HTR6RAPGEF4CA2KDM4EL3MBTL1
SCHEMBL30877400 0.79 RAPGEF4 (0.40) HTR6RAPGEF4CA2L3MBTL1CA1
SCHEMBL30877498 0.79 RAPGEF4 (0.43) HTR6RAPGEF4FLT3METCA2
SCHEMBL30877504 0.79 RAPGEF4 (0.43) HTR6RAPGEF4FLT3METCA2
SCHEMBL30877474 0.76 RAPGEF4 (0.41) HTR6RAPGEF4CA2KDM4EJAK2

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-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed