SCHEMBL24006237

SCHEMBL24006237

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(F)c(Nc2ccnc3ccc(F)cc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
USP2 O75604 2/20 0.60
KMT2A Q03164 2/20 0.60
DNMT1 P26358 4/20 0.60
DNMT3A Q9Y6K1 3/20 0.60
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
DNMT3L Q9UJW3 1/20 0.51
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
MAPKAPK2 P49137 1/20 0.44
GFER P55789 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL24011247 0.92 DNMT1 (0.53) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL30290751 0.92 DNMT1 (0.53) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL23999378 0.92 MAPT (0.60) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL24003847 0.91 DNMT1 (0.61) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL19151632 0.91 DNMT1 (0.72) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL23999735 0.91 DNMT1 (0.72) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL24006020 0.90 MAPT (0.58) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL23999382 0.88 MAPT (0.58) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL24003846 0.88 MAPT (0.60) MAPTUSP2KMT2ADNMT1DNMT3A
SCHEMBL24006001 0.88 MAPT (0.55) MAPTUSP2KMT2ADNMT1DNMT3A

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