SCHEMBL24006238

SCHEMBL24006238

O=C(Nc1ccc(Nc2ccncc2)cc1)c1cccc(Nc2ccnc3ccc(F)cc23)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.53
DNMT3A Q9Y6K1 3/20 0.53
USP2 O75604 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 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
CDK8 P49336 2/20 0.50
CCNC P24863 1/20 0.50
DNMT3L Q9UJW3 1/20 0.45
AURKA O14965 5/20 0.45
AURKB Q96GD4 5/20 0.45
HTT P42858 1/20 0.43
CLK2 P49760 1/20 0.43
ACVR1 Q04771 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
SCHEMBL30290913 0.94 USP2 (0.49) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL24010928 0.94 USP2 (0.49) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL24006007 0.90 DNMT1 (0.52) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL25820663 0.88 CDK8 (0.53) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL24006018 0.88 DNMT1 (0.49) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL30290776 0.85 DNMT1 (0.50) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL24010231 0.85 DNMT1 (0.50) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL23999380 0.84 USP2 (0.61) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL24006240 0.84 USP2 (0.58) DNMT1DNMT3AUSP2MAPTKMT2A
SCHEMBL23999735 0.83 DNMT1 (0.72) DNMT1DNMT3AUSP2MAPTKMT2A

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