SCHEMBL28604693

SCHEMBL28604693

Cc1ccccc1S(=O)(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccc(N)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
HTR6 P50406 3/20 0.34
JAK2 O60674 1/20 0.33
BTK Q06187 1/20 0.33
FABP4 P15090 3/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
KLK7 P49862 1/20 0.30

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
SCHEMBL21963548 0.84 KDM4E (0.39) RAPGEF4HTR6JAK2BTK
SCHEMBL28606804 0.83 KMT2A (0.38) HTR6HTR2A
SCHEMBL28852705 0.83 FABP4 (0.45) RAPGEF4HTR6FABP4DRD2HTR2A
SCHEMBL23668185 0.80 PIK3C3 (0.33) RAPGEF4KLK7
SCHEMBL28604695 0.79 ANPEP (0.35) JAK2BTKCTSG
SCHEMBL28473997 0.79 JAK2 (0.36) RAPGEF4HTR6JAK2BTKKLK7
SCHEMBL31465621 0.77 RAPGEF4 (0.36) RAPGEF4JAK2BTKFABP4CTSG
SCHEMBL23403832 0.77 RAPGEF4 (0.36) RAPGEF4JAK2BTKFABP4CTSG
SCHEMBL28478032 0.75 JAK2 (0.33) RAPGEF4JAK2BTK
SCHEMBL28802486 0.73 PIK3C3 (0.48) RAPGEF4FABP4CTSGCMA1

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-113166094-A Novel compounds as protein kinase inhibitors and pharmaceutical compositions comprising the same 怡诺安有限公司 2021-07-23 CN disclosed