SCHEMBL31444245

SCHEMBL31444245

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
SSTR4 P31391 6/20 0.41
CTSK P43235 4/20 0.40
SSTR1 P30872 4/20 0.40
GPR119 Q8TDV5 1/20 0.39
RORC P51449 1/20 0.38
BTK Q06187 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL14131623 0.83 ALOX5AP (0.42) ALOX5APFEN1CTSKGPR119BTK
SCHEMBL5105404 0.83 ALOX5AP (0.42) ALOX5APFEN1CTSKGPR119BTK
SCHEMBL6625876 0.78 ALOX5AP (0.39) ALOX5APFEN1CTSKBTK
SCHEMBL30946486 0.77 CTSK (0.41) BRD4CTSK
SCHEMBL24478179 0.77 CTSK (0.41) BRD4CTSK
SCHEMBL4316467 0.77 CTSK (0.42) CTSKRORC
SCHEMBL4316461 0.77 CTSK (0.42) CTSKRORC
SCHEMBL5983474 0.77 CTSK (0.42) CTSKRORC
SCHEMBL5983481 0.77 CTSK (0.42) CTSKRORC
SCHEMBL31437057 0.76 BRD4 (0.43) BRD4RORCNAMPT

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-119343333-A Amino heteroaryl kinase inhibitors 安锐生物医药公司 2025-01-21 CN disclosed