SCHEMBL21135206

SCHEMBL21135206

C/C=N/Nc1cc2nc(C(N)=O)cn2c(N2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
MAPT P10636 10/20 0.38
KDM4E B2RXH2 7/20 0.38
ATM Q13315 2/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 5/20 0.36
NSD2 O96028 1/20 0.36
MAPK1 P28482 1/20 0.36
MPI P34949 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL21135207 0.89 ATR (0.41) ATRMAPTKDM4EATMLMNA
SCHEMBL21135204 0.88 PIK3CB (0.39) ATRMAPTKDM4EATMLMNA
SCHEMBL23272117 0.85 KDM4E (0.57) MAPTKDM4EATMLMNAALDH1A1
SCHEMBL30312322 0.85 KDM4E (0.57) MAPTKDM4EATMLMNAALDH1A1
SCHEMBL21135208 0.84 ATR (0.37) ATRMAPTKDM4EATMLMNA
SCHEMBL30312419 0.78 MAPT (0.57) MAPTKDM4EATMLMNAALDH1A1
SCHEMBL21054975 0.78 MAPT (0.57) MAPTKDM4EATMLMNAALDH1A1
SCHEMBL23272155 0.76 KDM4E (0.55) ATRMAPTKDM4EATMLMNA
SCHEMBL23272147 0.76 KDM4E (0.55) MAPTKDM4EATMLMNAALDH1A1
SCHEMBL30312330 0.76 KDM4E (0.55) MAPTKDM4EATMLMNAALDH1A1

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed