SCHEMBL24006176

SCHEMBL24006176

Cc1ccc(Nc2ccnc3ccc(C#N)cc23)cc1C(=O)Nc1ccc(Nc2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
MAPK1 P28482 1/20 0.54
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
DNMT1 P26358 7/20 0.51
DNMT3A Q9Y6K1 5/20 0.51
MAPKAPK2 P49137 3/20 0.51
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
COQ8A Q8NI60 1/20 0.48
NLK Q9UBE8 1/20 0.48
BRAF P15056 1/20 0.46
LRRK2 Q5S007 1/20 0.43
DNMT3L Q9UJW3 3/20 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
SCHEMBL25487269 0.95 BRAF (0.51) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL30180518 0.93 USP2 (0.56) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL23999430 0.93 USP2 (0.56) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL25820605 0.89 BRAF (0.51) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL24006016 0.89 KMT2A (0.54) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL24003754 0.88 USP2 (0.51) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL30210245 0.87 KMT2A (0.56) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL23999565 0.87 KMT2A (0.56) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL24006215 0.87 MAPT (0.55) USP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL23999615 0.86 DNMT1 (0.68) USP2MAPTKMT2AKDM4EALDH1A1

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