SCHEMBL9583774

SCHEMBL9583774

CSc1nc(N(C)C)nc2c1ncn2COC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HK1 P19367 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ ABCB11 O95342 1/20 0.32
▸ POLA1 P09884 1/20 0.32
▸ POLG P54098 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ PRKCA P17252 1/20 0.30

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
SCHEMBL10816124 0.83 PDE3A (0.36) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL9584672 0.83 ALDH1A1 (0.38) PDE3AALDH1A1LMNASMN1; SMN2PRKCA
SCHEMBL9583894 0.82 BLM (0.48) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL10815175 0.82 PDE3A (0.35) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL9584901 0.82 PDE3A (0.49) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL10813165 0.78 PDE3A (0.41) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL9583917 0.77 CYP1A2 (0.50) PDE3AABCB11POLA1POLGFAP
SCHEMBL9583095 0.76 CCNE1 (0.48) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL9583505 0.74 CCNE2 (0.34) PDE3AALDH1A1MEN1LMNACYP3A4
SCHEMBL9594486 0.74 PDE3A (0.48) PDE3AALDH1A1MEN1LMNACYP3A4

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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