SCHEMBL24006245

SCHEMBL24006245

O=C(Nc1ccc(Nc2ccncc2)cc1)c1cc(F)cc(Nc2ccnc3ccc(F)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 5/20 0.61
DNMT3A Q9Y6K1 4/20 0.61
MAPT P10636 3/20 0.61
USP2 O75604 2/20 0.61
KMT2A Q03164 2/20 0.61
DNMT3L Q9UJW3 2/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AURKA O14965 5/20 0.50
AURKB Q96GD4 3/20 0.50
GAK O14976 1/20 0.47
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
NR4A1 P22736 1/20 0.43
MYC P01106 1/20 0.42

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
SCHEMBL30290778 0.92 DNMT1 (0.54) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL24011261 0.92 DNMT1 (0.54) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL24003845 0.92 DNMT1 (0.64) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL23999735 0.92 DNMT1 (0.72) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL19151632 0.92 DNMT1 (0.72) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL24006005 0.91 MAPT (0.58) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL24006109 0.89 DNMT1 (0.69) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL24003809 0.89 DNMT1 (0.69) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL30287678 0.89 DNMT1 (0.69) DNMT1DNMT3AMAPTUSP2KMT2A
SCHEMBL24006220 0.89 MAPT (0.60) DNMT1DNMT3AMAPTUSP2KMT2A

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