SCHEMBL24005994

SCHEMBL24005994

Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccc(N6CCC6)cc45)c3)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 8/20 0.59
DNMT3A Q9Y6K1 7/20 0.59
DNMT3L Q9UJW3 5/20 0.53
EHMT1 Q9H9B1 3/20 0.53
MAPKAPK2 P49137 6/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
MYC P01106 1/20 0.44
MAP2K3 P46734 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
QSOX1 O00391 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL23999636 0.93 MAPT (0.53) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL30180473 0.93 MAPT (0.53) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL24006299 0.93 DNMT1 (0.56) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL23999596 0.87 MAPT (0.48) DNMT1DNMT3AMAPKAPK2MAPTKMT2A
SCHEMBL30180296 0.87 MAPT (0.48) DNMT1DNMT3AMAPKAPK2MAPTKMT2A
SCHEMBL24009943 0.87 DNMT1 (0.49) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL30180365 0.87 MAPT (0.45) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL23999440 0.87 MAPT (0.45) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL23999637 0.85 MAPT (0.45) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2
SCHEMBL30180369 0.85 MAPT (0.45) DNMT1DNMT3ADNMT3LEHMT1MAPKAPK2

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-2021226477-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed