SCHEMBL30735950

SCHEMBL30735950

COc1cccc2c(C)nc(NC(=N)NC3CCN(C)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.46
KMT2A Q03164 2/20 0.41
SSTR4 P31391 2/20 0.40
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CDK1 P06493 1/20 0.38
KDM1A O60341 1/20 0.38
ADORA2A P29274 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CHEK1 O14757 1/20 0.37
IKBKB O14920 1/20 0.37
AURKA O14965 1/20 0.37
PAK4 O96013 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL27344419 1.00 EZH2 (0.46) EZH2KMT2ASSTR4KDM4EALDH1A1
SCHEMBL27343470 0.86 KCNH2 (0.37) KMT2ASSTR4KDM4EALDH1A1HPGD
SCHEMBL30736208 0.86 KCNH2 (0.37) KMT2ASSTR4KDM4EALDH1A1HPGD
SCHEMBL27343125 0.83 EZH2 (0.46) EZH2KMT2ASSTR4CDK1KDM1A
SCHEMBL27342913 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27343122 0.78 NPSR1 (0.50) EZH2KMT2AKDM4EALDH1A1HPGD
SCHEMBL27343490 0.78 DYRK1A (0.35) SSTR4ALDH1A1HPGDCDK1HTT
SCHEMBL30735839 0.77 KDM4E (0.48) EZH2KMT2AKDM4EALDH1A1HTT
SCHEMBL27344425 0.77 KDM4E (0.48) EZH2KMT2AKDM4EALDH1A1HTT
SCHEMBL26173840 0.77 KDM4E (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed