SCHEMBL9583532

SCHEMBL9583532

CCCCC(=O)OCC(CO)OCn1cnc2c(N)nc(NC)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TMIGD3 P0DMS9 4/20 0.37
▸ ADORA2A P29274 4/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ PRKCA P17252 3/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ FGFR1 P11362 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
SCHEMBL9583144 0.92 PDE3A (0.40) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583048 0.92 PDE3A (0.40) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9584373 0.87 PDE3A (0.43) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9582822 0.86 PDE3A (0.44) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583468 0.84 PDE3A (0.47) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9584367 0.83 BLM (0.56) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583122 0.83 PDE3A (0.47) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583151 0.82 ALDH1A1 (0.40) PDE3AALDH1A1LMNAPRKCAPRKCE
SCHEMBL9583391 0.81 FGFR1 (0.52) PDE3AALDH1A1CYP3A4ADORA2APRKCA
SCHEMBL9583142 0.81 CDK1 (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4

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
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