SCHEMBL10535574

SCHEMBL10535574

CC(=O)OCCC(COC(C)=O)Cn1cnc2cnc(N)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.74
▸ KDM4E B2RXH2 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ HPGD P15428 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ HSD17B10 Q99714 1/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ ADORA2B P29275 1/20 0.34
▸ HPRT1 P00492 4/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FDPS P14324 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL7750980 0.92 KDM4E (0.79) RXFP1KDM4EALDH1A1HPGDADRA1A
SCHEMBL9550186 0.90 ALDH1A1 (0.88) RXFP1KDM4EALDH1A1HPGDADRA1A
SCHEMBL712564 0.85 KDM4E (0.58) RXFP1KDM4EALDH1A1HPGDADRA1A
SCHEMBL712563 0.85 KDM4E (0.58) RXFP1KDM4EALDH1A1HPGDADRA1A
Famciclovir SCHEMBL29357294 0.85 KDM4E (1.00) RXFP1KDM4EALDH1A1HPGDADRA1A
Famciclovir SCHEMBL2949 0.85 KDM4E (1.00) RXFP1KDM4EALDH1A1HPGDADRA1A
Famciclovir SCHEMBL8190642 0.85 KDM4E (1.00) RXFP1KDM4EALDH1A1HPGDADRA1A
Famciclovir SCHEMBL3932051 0.84 KDM4E (0.98) RXFP1KDM4EALDH1A1HPGDADRA1A
Famciclovir SCHEMBL6471652 0.84 KDM4E (0.98) RXFP1KDM4EALDH1A1HPGDADRA1A
Famciclovir SCHEMBL29098544 0.84 KDM4E (0.98) RXFP1KDM4EALDH1A1HPGDADRA1A

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-1989010923-A1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION MEDIVIR AB (SE) 1989-11-16 — — WO disclosed
Send feedback