SCHEMBL21135208

SCHEMBL21135208

C/C=N/Nc1cc2nc(C(=O)N3CCNCC3)cn2c(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.37
PIK3CD O00329 1/20 0.37
MAPT P10636 8/20 0.33
KDM4E B2RXH2 7/20 0.33
LMNA P02545 4/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
APAF1 O14727 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 3/20 0.33
PIK3CB P42338 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
FLT3 P36888 1/20 0.32
CDK4 P11802 1/20 0.32
CCND3 P30281 1/20 0.32

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
SCHEMBL30312329 0.86 KDM4E (0.51) MAPTKDM4ELMNAALDH1A1ATM
SCHEMBL23272148 0.86 KDM4E (0.51) MAPTKDM4ELMNAALDH1A1ATM
SCHEMBL21135206 0.84 ATR (0.38) ATRMAPTKDM4ELMNAGAA
SCHEMBL21135207 0.84 ATR (0.41) ATRPIK3CDMAPTKDM4ELMNA
SCHEMBL21135204 0.83 PIK3CB (0.39) ATRPIK3CDMAPTKDM4ELMNA
SCHEMBL23272147 0.79 KDM4E (0.55) MAPTKDM4ELMNAALDH1A1ATM
SCHEMBL30312330 0.79 KDM4E (0.55) MAPTKDM4ELMNAALDH1A1ATM
SCHEMBL21135852 0.78 PIK3CA (0.39) PIK3CDPIK3CAMTORCDK4CCND3
SCHEMBL30312542 0.72 ATR (0.49) ATRMAPTKDM4ELMNAALDH1A1
SCHEMBL23272117 0.71 KDM4E (0.57) MAPTKDM4ELMNAALDH1A1ATM

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