SCHEMBL29620707

SCHEMBL29620707

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)c2ncc[nH]2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
NAMPT P43490 14/20 0.35
DYRK1A Q13627 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.31
ULK1 O75385 1/20 0.31

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
SCHEMBL24345472 1.00 POLB (0.35) POLBNAMPTDYRK1AMEN1HPGD
SCHEMBL24346314 1.00 POLB (0.35) POLBNAMPTDYRK1AMEN1HPGD
SCHEMBL24345858 0.91 POLB (0.35) POLBNAMPTDYRK1AMEN1HPGD
SCHEMBL29620716 0.91 POLB (0.35) POLBNAMPTDYRK1AMEN1HPGD
SCHEMBL24345316 0.91 POLB (0.35) POLBNAMPTDYRK1AMEN1HPGD
SCHEMBL24345297 0.91 POLB (0.34) POLBNAMPT
SCHEMBL24345459 0.91 POLB (0.39) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24345870 0.91 POLB (0.36) POLBNAMPTDYRK1AMEN1HPGD
SCHEMBL24345300 0.90 NAMPT (0.37) POLBNAMPT
SCHEMBL29620714 0.90 NAMPT (0.37) POLBNAMPT

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
WO-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed