SCHEMBL24005997

SCHEMBL24005997

Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccc(N6CCOCC6)cc45)c3)nc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.47
DNMT1 P26358 3/20 0.46
DNMT3A Q9Y6K1 3/20 0.46
SLC2A1 P11166 1/20 0.45
MAPK10 P53779 3/20 0.45
MAPK14 Q16539 3/20 0.45
EHMT1 Q9H9B1 2/20 0.45
DNMT3L Q9UJW3 2/20 0.45
MTOR P42345 1/20 0.44
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK9 P45984 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL24005998 0.93 MAPT (0.47) MAPK10MAPK14MTORRAF1BRAF
SCHEMBL24006302 0.92 MAPKAPK2 (0.46) MAPKAPK2SLC2A1MAPK10MAPK14MTOR
SCHEMBL24006299 0.92 DNMT1 (0.56) MAPKAPK2DNMT1DNMT3ASLC2A1MAPK10
SCHEMBL24006002 0.86 DNMT1 (0.42) DNMT1DNMT3AEHMT1DNMT3L
SCHEMBL30180401 0.85 MAPT (0.49) MAPKAPK2SLC2A1MAPK10MAPK14SMN1; SMN2
SCHEMBL23999438 0.85 MAPT (0.49) MAPKAPK2SLC2A1MAPK10MAPK14SMN1; SMN2
SCHEMBL23999785 0.84 MAPT (0.54) MAPKAPK2SLC2A1MAPK10SMN1; SMN2MAPT
SCHEMBL30180392 0.84 MAPT (0.54) MAPKAPK2SLC2A1MAPK10SMN1; SMN2MAPT
SCHEMBL24005989 0.84 MAPT (0.46) MAPK10MAPK14MTORRAF1BRAF
SCHEMBL24005994 0.84 DNMT1 (0.59) MAPKAPK2DNMT1DNMT3AMAPK14EHMT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226477-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed