SCHEMBL29914906

SCHEMBL29914906

CC(C)(N)c1cc(B(O)O)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.35
ENPP2 Q13822 5/20 0.34
CA2 P00918 2/20 0.34
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
CA1 P00915 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.32
ESRRG P62508 1/20 0.32
ESR2 Q92731 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL27160136 1.00 MGLL (0.35) MGLLENPP2CA2LPLLIPG
SCHEMBL22130544 0.85 MGLL (0.38) MGLLENPP2CA2LPLLIPG
SCHEMBL22130546 0.79 LPL (0.37) MGLLENPP2CA2LPLLIPG
SCHEMBL29525231 0.79 MGLL (0.48) MGLLENPP2CA2CA1
SCHEMBL206793 0.79 MGLL (0.48) MGLLENPP2CA2CA1
SCHEMBL20768808 0.75 ENPP2 (0.41) ENPP2CA2LPLLIPGCA1
SCHEMBL16133572 0.73 MGLL (0.38) MGLLENPP2CA2LPLLIPG
SCHEMBL29278215 0.73 ENPP2 (0.37) MGLLENPP2CA2LPLLIPG
SCHEMBL29939083 0.72 SMN1; SMN2 (0.40) CA2ALDH1A1
SCHEMBL2318259 0.72 MGLL (0.36) MGLLENPP2CA2LPLLIPG

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 4 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
CN-117597336-A Halogen substituted amino aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN 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
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed