SCHEMBL9583468

SCHEMBL9583468

CCCCCCC(=O)OCC(CO)OCn1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.47
▸ PRKCA P17252 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PRKCE Q02156 2/20 0.43
▸ PRKCQ Q04759 2/20 0.43
▸ PRKCD Q05655 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 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
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ DUSP3 P51452 1/20 0.38

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
SCHEMBL9584540 0.95 HDAC1 (0.42) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583019 0.95 HDAC1 (0.42) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583391 0.86 FGFR1 (0.52) PDE3APRKCAPRKCEPRKCQPRKCD
SCHEMBL9583536 0.86 CDK1 (0.46) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583458 0.86 CDK1 (0.46) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583245 0.86 CDK1 (0.46) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583142 0.86 CDK1 (0.46) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583532 0.84 PDE3A (0.47) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583697 0.83 HDAC6 (0.42) PDE3APRKCALMNAPRKCEPRKCQ
SCHEMBL9583750 0.83 PDE3A (0.69) PDE3ALMNAALDH1A1MEN1KMT2A

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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