SCHEMBL28984052

SCHEMBL28984052

CC1(C)OB(c2cccc(CBr)c2F)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.37
LIPG Q9Y5X9 7/20 0.37
JAK2 O60674 2/20 0.34
BTK Q06187 2/20 0.34
CXCR2 P25025 2/20 0.34
ROCK1 Q13464 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
SCHEMBL20237032 0.84 JAK2 (0.37) LPLLIPGJAK2BTKCXCR2
SCHEMBL17951295 0.84 JAK2 (0.37) LPLLIPGJAK2BTKCXCR2
SCHEMBL30615277 0.84 JAK2 (0.37) LPLLIPGJAK2BTKCXCR2
SCHEMBL2586990 0.83 LPL (0.42) LPLLIPGCXCR2ROCK1
SCHEMBL30393353 0.83 LPL (0.42) LPLLIPGCXCR2ROCK1
SCHEMBL24630498 0.82 LPL (0.46) LPLLIPGJAK2BTK
SCHEMBL29288003 0.82 JAK2 (0.38) LPLLIPGJAK2BTKCXCR2
SCHEMBL17389030 0.79 LIPG (0.39) LPLLIPGJAK2BTKCXCR2
SCHEMBL22748266 0.78 LIPG (0.50) LPLLIPG
SCHEMBL20237129 0.78 LPL (0.33) LPLLIPGJAK2BTKCXCR2

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-115960094-A Preparation and application of aromatic ring substituted methylamine derivative 上海璎黎药业有限公司 2023-04-14 CN disclosed