SCHEMBL29914800

SCHEMBL29914800

COC1CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C2CCOCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
CD274 Q9NZQ7 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
ROCK1 Q13464 1/20 0.31
HIF1A Q16665 1/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
PDCD1 Q15116 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
SCHEMBL27159633 1.00 BACE1 (0.36) BACE1CD274PDCD1LG2ROCK1HIF1A
SCHEMBL27159890 0.91 BACE1 (0.37) BACE1ROCK1HIF1A
SCHEMBL29914738 0.91 BACE1 (0.37) BACE1ROCK1HIF1A
SCHEMBL27159650 0.84 LPL (0.33) ROCK1HIF1ALPLLIPG
SCHEMBL29914723 0.84 LPL (0.33) ROCK1HIF1ALPLLIPG
SCHEMBL29914872 0.84 LPL (0.33) ROCK1HIF1ALPLLIPG
SCHEMBL27159919 0.84 LPL (0.33) ROCK1HIF1ALPLLIPG
SCHEMBL27159842 0.82 MGLL (0.36) BACE1CD274PDCD1LG2ROCK1
SCHEMBL29914916 0.82 MGLL (0.36) BACE1CD274PDCD1LG2ROCK1
SCHEMBL29914947 0.78 BACE1 (0.37) BACE1CD274PDCD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed