SCHEMBL29620737

SCHEMBL29620737

COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)cc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CFTR P13569 2/20 0.31
NAMPT P43490 3/20 0.31
TP53 P04637 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
DYRK1A Q13627 1/20 0.30
BTK Q06187 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
SCHEMBL24345846 1.00 POLB (0.37) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL29620711 0.93 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24345268 0.93 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24345453 0.93 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24346374 0.92 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL29620704 0.92 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24346300 0.92 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24345845 0.89 POLB (0.38) POLBMEN1KMT2AHPGDADORA2A
SCHEMBL24984688 0.88 POLB (0.38) POLBMEN1KMT2AHPGDLMNA
SCHEMBL24986320 0.88 POLB (0.38) POLBMEN1KMT2AHPGDLMNA

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