SCHEMBL5358445

SCHEMBL5358445

Fc1c(F)c(F)c(Oc2ncnc3nc[nH]c23)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.57
CDC7 O00311 3/20 0.48
DBF4 Q9UBU7 3/20 0.48
CDK2 P24941 2/20 0.46
CDK1 P06493 1/20 0.46
LMNA P02545 4/20 0.44
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
LRRK2 Q5S007 2/20 0.44
DRD3 P35462 1/20 0.44
XDH P47989 1/20 0.44
G6PD P11413 1/20 0.43
TP53 P04637 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CHEK2 O96017 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL5358444 0.73 TRPA1 (0.35) PDPK1
SCHEMBL2940697 0.73 PDPK1 (0.67) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL284830 0.73 PDPK1 (1.00) PDPK1CDC7DBF4CDK2CDK1
Water SCHEMBL6474310 0.72 PDPK1 (0.96) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL3388864 0.70 PDPK1 (0.68) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL264365 0.70 PI4KA (0.57) PDPK1CDC7DBF4CDK2LMNA
6-[(Isopropyl)Oxy]Purine SCHEMBL8939257 0.69 PDPK1 (0.66) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL9094494 0.68 PDPK1 (0.64) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL9197744 0.67 PDPK1 (0.62) PDPK1CDC7DBF4CDK2CDK1
SCHEMBL6270509 0.67 CDK2 (0.61) PDPK1CDC7DBF4CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed