SCHEMBL30877504

SCHEMBL30877504

Cc1ccc(S(=O)(=O)n2cccc2-c2cnn(C[C@@H](C)O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.43
KIT P10721 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
HTT P42858 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HTR6 P50406 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 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
SCHEMBL30877498 1.00 RAPGEF4 (0.43) RAPGEF4KITL3MBTL1CA1CA2
SCHEMBL30877399 0.83 RAPGEF4 (0.43) RAPGEF4L3MBTL1CA1CA2POLB
SCHEMBL30877414 0.83 KIT (0.37) KITALDH1A1AURKACSF1RFLT1
SCHEMBL30877513 0.83 KIT (0.37) KITALDH1A1AURKACSF1RFLT1
SCHEMBL30877418 0.83 RAPGEF4 (0.43) RAPGEF4L3MBTL1CA1CA2JAK2
SCHEMBL30877275 0.82 RAPGEF4 (0.45) RAPGEF4L3MBTL1CA1CA2POLB
SCHEMBL30877318 0.81 RAPGEF4 (0.44) RAPGEF4L3MBTL1CA1CA2POLB
SCHEMBL30877340 0.81 RAPGEF4 (0.45) RAPGEF4L3MBTL1CA1CA2POLB
SCHEMBL30877493 0.79 RAPGEF4 (0.40) RAPGEF4L3MBTL1CA1CA2POLB
SCHEMBL30877392 0.79 RAPGEF4 (0.48) RAPGEF4L3MBTL1CA1CA2PKM

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