SCHEMBL3715566

SCHEMBL3715566

O=c1cc(Cl)nc2c(O)cccn12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
GAA P10253 3/20 0.65
LMNA P02545 1/20 0.65
GLA P06280 1/20 0.65
MPI P34949 1/20 0.65
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
EGLN1 Q9GZT9 2/20 0.34
VEGFA P15692 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL17802261 0.84 ALDH1A1 (0.61) KDM4EALDH1A1GAALMNAGLA
SCHEMBL13050024 0.83 KDM4E (0.69) KDM4EALDH1A1GAALMNAGLA
SCHEMBL8171222 0.80 KDM4E (0.42) KDM4EALDH1A1GAALMNAGLA
SCHEMBL876113 0.80 KDM4E (0.52) KDM4EALDH1A1GAALMNAGLA
SCHEMBL7011577 0.80 KDM4E (0.97) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2902446 0.76 KDM4E (0.60) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2905445 0.76 KDM4E (0.64) KDM4EALDH1A1GAALMNAGLA
SCHEMBL17802278 0.76 KDM4E (0.60) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2899752 0.76 ALDH1A1 (0.64) KDM4EALDH1A1GAALMNAGLA
SCHEMBL13403443 0.76 KDM4E (0.64) KDM4EALDH1A1GAALMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed