SCHEMBL10814558

SCHEMBL10814558

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.49
▸ BLM P54132 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ VCP P55072 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CCNE1 P24864 4/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CCNB1 P14635 3/20 0.41
▸ BCHE P06276 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HPRT1 P00492 3/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL9584514 0.84 PDE3A (0.59) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL9123481 0.82 BLM (0.62) PDE3ABLMMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL10907047 0.81 BLM (0.60) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL9583183 0.79 CCNE1 (0.51) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL10848503 0.78 PDE3A (0.52) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL9583095 0.76 CCNE1 (0.48) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL10816296 0.76 PDE3A (0.50) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL10904901 0.76 CCNE1 (0.56) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL12660403 0.76 PDE3A (0.54) PDE3ABLMMEN1KMT2AALDH1A1
SCHEMBL10818140 0.74 ADORA2A (0.50) PDE3ABLMMEN1KMT2AALDH1A1

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
EP-0105135-B1 SUBSTITUTED 9-(1-0- OR 3-0-MONOSUBSTITUTED OR 1,3-DI-0-SUBSTITUTED 1,3 DIHYDROXY-2-PROPOXYMETHYL) PURINES AS ANTIVIRAL AGENTS SYNTEX (U.S.A.) INC. (US) 1987-03-18 — — EP disclosed
US-4609661-A HERPES VIRUS SYNTEX (U.S.A.) INC. (US) 1986-09-02 — — US disclosed
US-4556659-A Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-Di-0-substituted propoxymethyl)-purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1985-12-03 — — US disclosed
EP-0105135-A1 Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-di-0-substituted 1,3 dihydroxy-2-propoxymethyl) purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1984-04-11 — — EP disclosed
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