SCHEMBL28812261

SCHEMBL28812261

CC(C)(C)OC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 9/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
AAK1 Q2M2I8 2/20 0.40
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
METAP1 P53582 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 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
SCHEMBL16263673 0.86 AAK1 (0.41) LIPELMNAPOLBRXFP1AAK1
SCHEMBL29984550 0.86 AAK1 (0.41) LIPELMNAPOLBRXFP1AAK1
SCHEMBL14560 0.85 LIPE (0.48) LIPELMNAPOLBRXFP1AAK1
SCHEMBL3712015 0.84 AAK1 (0.42) LIPELMNAPOLBRXFP1AAK1
SCHEMBL24497673 0.82 AAK1 (0.41) LIPELMNAPOLBRXFP1AAK1
SCHEMBL30695853 0.80 AAK1 (0.39) LIPELMNAPOLBRXFP1AAK1
SCHEMBL1057040 0.79 LIPE (0.46) LIPELMNAPOLBRXFP1AAK1
SCHEMBL31534338 0.79 AAK1 (0.36) LIPELMNAPOLBRXFP1AAK1
SCHEMBL23564449 0.79 AAK1 (0.41) LIPELMNAPOLBRXFP1AAK1
SCHEMBL6652035 0.78 AAK1 (0.42) LIPELMNAPOLBRXFP1AAK1

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
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed