SCHEMBL28624112

SCHEMBL28624112

CC(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.42
LIPG Q9Y5X9 9/20 0.42
AAK1 Q2M2I8 3/20 0.41
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ESR2 Q92731 1/20 0.35
HIF1A Q16665 1/20 0.34
F11 P03951 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL21508490 0.90 AAK1 (0.39) LPLLIPGAAK1ROCK1EGFR
SCHEMBL21508493 0.90 AAK1 (0.39) LPLLIPGAAK1ROCK1EGFR
SCHEMBL15057082 0.89 LPL (0.42) LPLLIPGAAK1ROCK1ALDH1A1
SCHEMBL21918852 0.83 AAK1 (0.41) LPLLIPGAAK1ALDH1A1GAA
SCHEMBL13466349 0.83 ALDH1A1 (0.44) LPLLIPGAAK1ALDH1A1GAA
SCHEMBL142144 0.82 LPL (0.49) LPLLIPGROCK1EGFRCA1
SCHEMBL578320 0.82 LPL (0.43) LPLLIPGAAK1ROCK1EGFR
SCHEMBL1328329 0.81 LPL (0.45) LPLLIPGAAK1ROCK1EGFR
SCHEMBL1331278 0.81 LPL (0.42) LPLLIPGAAK1ROCK1EGFR
SCHEMBL3192898 0.81 LIPG (0.45) LPLLIPGAAK1ROCK1EGFR

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-107674073-B 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridine compounds as modulators of protein kinases 印蔻真治疗公司 2021-09-10 CN disclosed