SCHEMBL24006221

SCHEMBL24006221

O=C(Nc1ccc(Nc2ccncc2)cc1)c1cc(Nc2ccnc3ccc(F)cc23)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
USP2 O75604 2/20 0.57
MAPT P10636 2/20 0.57
DNMT1 P26358 4/20 0.57
DNMT3A Q9Y6K1 3/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
DNMT3L Q9UJW3 1/20 0.48
GAK O14976 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
MAPKAPK2 P49137 2/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
NR4A1 P22736 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
SCHEMBL24010174 0.93 DNMT1 (0.52) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL30290890 0.93 DNMT1 (0.52) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL30180650 0.92 KMT2A (0.57) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL19151650 0.92 KMT2A (0.57) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL23999735 0.89 DNMT1 (0.72) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL19151632 0.89 DNMT1 (0.72) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL24006240 0.88 USP2 (0.58) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL25820540 0.88 DNMT1 (0.53) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL23999380 0.88 USP2 (0.61) KMT2AUSP2MAPTDNMT1DNMT3A
SCHEMBL24003819 0.87 DNMT1 (0.53) KMT2AUSP2MAPTDNMT1DNMT3A

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