SCHEMBL30877474

SCHEMBL30877474

Cc1ccc(S(=O)(=O)n2cccc2-c2cnn(CC3COC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TTK P33981 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
HTR6 P50406 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL30877400 0.90 RAPGEF4 (0.40) RAPGEF4ALDH1A1L3MBTL1MAPTHTR6
SCHEMBL30877298 0.90 RAPGEF4 (0.40) RAPGEF4JAK2JAK1TYK2JAK3
SCHEMBL30877398 0.84 TTK (0.35) JAK2JAK1TYK2JAK3TTK
SCHEMBL30877450 0.82 RAPGEF4 (0.41) RAPGEF4KDM4EALDH1A1HPGDKMT2A
SCHEMBL30877275 0.80 RAPGEF4 (0.45) RAPGEF4KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL30877318 0.79 RAPGEF4 (0.44) RAPGEF4KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL30877392 0.79 RAPGEF4 (0.48) RAPGEF4KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL30877498 0.78 RAPGEF4 (0.43) RAPGEF4JAK2JAK1TYK2JAK3
SCHEMBL30877418 0.78 RAPGEF4 (0.43) RAPGEF4JAK2JAK1TYK2JAK3
SCHEMBL30877504 0.78 RAPGEF4 (0.43) RAPGEF4JAK2JAK1TYK2JAK3

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