SCHEMBL29620699

SCHEMBL29620699

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
NAMPT P43490 2/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
BTK Q06187 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL24345439 1.00 POLB (0.34) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL29620701 0.94 POLB (0.36) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345670 0.94 POLB (0.36) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345855 0.94 POLB (0.36) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345453 0.93 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL29620711 0.93 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345268 0.93 POLB (0.35) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345459 0.89 POLB (0.39) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL24345669 0.88 POLB (0.38) POLBMEN1HPGDKMT2ALMNA
SCHEMBL24345270 0.88 POLB (0.38) POLBMEN1HPGDKMT2ALMNA

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