SCHEMBL29739983

SCHEMBL29739983

COc1c(NC(=O)OC(C)(C)C)cccc1-c1cnc(C(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
TYK2 P29597 6/20 0.38
IDO1 P14902 2/20 0.36
BRD9 Q9H8M2 1/20 0.35
AAK1 Q2M2I8 3/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
BACE1 P56817 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GPR139 Q6DWJ6 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
SCHEMBL29686204 1.00 METAP1 (0.39) METAP1TYK2IDO1BRD9AAK1
SCHEMBL24498041 1.00 METAP1 (0.39) METAP1TYK2IDO1BRD9AAK1
SCHEMBL30695862 0.86 TYK2 (0.50) METAP1TYK2IDO1BRD9RXFP1
SCHEMBL26124861 0.85 TYK2 (0.43) TYK2ALOX5APFEN1
SCHEMBL29686569 0.83 AAK1 (0.36) TYK2AAK1PIK3CDABL1EGFR
SCHEMBL24498474 0.81 TYK2 (0.50) METAP1TYK2IDO1BRD9
SCHEMBL29686078 0.81 TYK2 (0.50) METAP1TYK2IDO1BRD9
SCHEMBL28838921 0.81 TYK2 (0.40) METAP1TYK2IDO1BRD9RXFP1
SCHEMBL29686656 0.81 TYK2 (0.40) METAP1TYK2IDO1BRD9RXFP1
SCHEMBL30695861 0.77 METAP1 (0.46) METAP1TYK2BRD9RXFP1HSP90AA1

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-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 CN disclosed