SCHEMBL9583183

SCHEMBL9583183

CC(=O)OCC(COC(C)=O)OCn1cnc2c(N)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.51
CDK2 P24941 5/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ADRA1A P35348 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.46
VCP P55072 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL9584568 0.90 HDAC6 (0.48) PDE3AALDH1A1KDM4EHPGDADRA1A
SCHEMBL9583095 0.88 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL9584022 0.88 PDE3A (0.46) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL10648662 0.86 PDE3A (0.46) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL9584514 0.84 PDE3A (0.59) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL12660403 0.84 PDE3A (0.54) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL12660410 0.83 PDE3A (0.51) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL9827507 0.83 PDE3A (0.44) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL9583536 0.83 CDK1 (0.46) CCNE1CDK2CDK1CCNB1PDE3A
SCHEMBL9583245 0.83 CDK1 (0.46) CCNE1CDK2CDK1CCNB1PDE3A

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
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 EP disclosed