SCHEMBL9019840

SCHEMBL9019840

CC(=O)Nc1nc2ncn(COC(COC(C)C)COC(C)C)c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
GDA Q9Y2T3 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE3A Q14432 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 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
SCHEMBL2467775 0.90 KMT2A (0.50) HPGDKMT2AMEN1TSHRGDA
SCHEMBL9019822 0.81 MEN1 (0.48) HPGDKMT2AMEN1TSHRALDH1A1
SCHEMBL9019742 0.79 ACHE (0.33) KMT2AMEN1ALDH1A1SMN1; SMN2PDE3A
SCHEMBL9021299 0.78 ACHE (0.42) HPGD
SCHEMBL9538971 0.78 HPGD (0.43) HPGDKMT2AMEN1TSHRGDA
SCHEMBL9540513 0.78 HPGD (0.45) HPGDKMT2AMEN1TSHRGDA
SCHEMBL9540520 0.78 HPGD (0.45) HPGDKMT2AMEN1TSHRGDA
SCHEMBL9538872 0.78 HPGD (0.43) HPGDKMT2AMEN1TSHRGDA
SCHEMBL9538968 0.78 HPGD (0.43) HPGDKMT2AMEN1TSHRGDA
SCHEMBL9540499 0.78 HPGD (0.45) HPGDKMT2AMEN1TSHRGDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed