SCHEMBL28802486

SCHEMBL28802486

Cc1ccccc1S(=O)(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)cnc(C)c21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.48
RAPGEF4 Q8WZA2 1/20 0.37
FABP4 P15090 2/20 0.35
BRD4 O60885 1/20 0.32
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL19642608 0.83 L3MBTL1 (0.39) PIK3C3RAPGEF4BRD4
SCHEMBL31465621 0.82 RAPGEF4 (0.36) PIK3C3RAPGEF4FABP4BRD4CTSG
SCHEMBL23403832 0.82 RAPGEF4 (0.36) PIK3C3RAPGEF4FABP4BRD4CTSG
SCHEMBL28802488 0.80 CYP2C19 (0.36) PIK3C3
SCHEMBL16923791 0.77 PIK3C3 (0.54) PIK3C3RAPGEF4FABP4BRD4CTSG
SCHEMBL28657465 0.77 RAPGEF4 (0.37) PIK3C3RAPGEF4FABP4
SCHEMBL23668185 0.75 PIK3C3 (0.33) PIK3C3RAPGEF4
SCHEMBL28604693 0.73 RAPGEF4 (0.35) RAPGEF4FABP4CTSGCMA1
SCHEMBL28852705 0.73 FABP4 (0.45) RAPGEF4FABP4
SCHEMBL14677903 0.72 RAPGEF4 (0.33) PIK3C3RAPGEF4BRD4

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-109153646-B Pyridine dicarboxamide derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2022-08-02 CN disclosed