SCHEMBL9503831

SCHEMBL9503831

COc1nc(O)nc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
CSNK2A2 P19784 1/20 0.33
RAB9A P51151 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK1A Q13627 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
ABL1 P00519 1/20 0.31
RAD52 P43351 1/20 0.31
RIN1 Q13671 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL2984733 0.81
SCHEMBL19978884 0.79 PDPK1 (0.36) PDPK1CYP1A2CYP2C19DYRK1AABL1
SCHEMBL22700363 0.79 MEN1 (0.37) PDPK1CYP1A2CYP2C19MEN1CSNK2A2
Methylguanine SCHEMBL1336757 0.79 CDK1 (0.41) PDPK1
SCHEMBL1443986 0.79 XDH (0.37) PDPK1CYP1A2CYP2C19CSNK2A1ABL1
SCHEMBL31380770 0.79 XDH (0.37) PDPK1CYP1A2CYP2C19CSNK2A1ABL1
SCHEMBL18961720 0.76 GAA (0.35) PDPK1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL9465638 0.76 PDPK1 (0.34) PDPK1MEN1CSNK2A2RAB9ACSNK2B
Xanthine SCHEMBL918381 0.75 MEN1 (0.34) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
Xanthine SCHEMBL9443796 0.75 MEN1 (0.34) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1

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-2012154321-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-11-15 WO disclosed
WO-2011123586-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed
EP-0539487-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1993-05-05 EP disclosed
WO-1992001698-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed