SCHEMBL28033296

SCHEMBL28033296

CC(Br)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
ESR2 Q92731 1/20 0.32
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
EGFR P00533 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
SCHEMBL31138789 0.87 LPL (0.38) LPLLIPGESR2JAK2BTK
SCHEMBL21666040 0.87 LPL (0.38) LPLLIPGESR2JAK2BTK
SCHEMBL19747926 0.84 LPL (0.36) LPLLIPGESR2JAK2BTK
SCHEMBL22095433 0.77 LPL (0.40) LPLLIPGJAK2BTKEGFR
SCHEMBL897058 0.76 LPL (0.50) LPLLIPGJAK2BTKEGFR
SCHEMBL21042445 0.76 LIPG (0.50) LPLLIPGJAK2BTKEGFR
SCHEMBL29424567 0.76 LPL (0.50) LPLLIPGJAK2BTKEGFR
SCHEMBL37395635 0.75 LPL (0.41) LPLLIPGJAK2BTKEGFR
SCHEMBL6120636 0.75 LPL (0.41) LPLLIPGJAK2BTKEGFR
SCHEMBL17491867 0.75 LPL (0.53) LPLLIPGEGFR

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-102666541-B Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES, INC. (US) 2015-11-25 CN disclosed