SCHEMBL9584645

SCHEMBL9584645

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OCn1cnc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 2/20 0.52
▸ ADORA2A P29274 3/20 0.50
▸ CYP3A4 P08684 8/20 0.49
▸ CYP2D6 P10635 7/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ ADCY5 O95622 2/20 0.47
▸ ADORA1 P30542 2/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45

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
SCHEMBL9584354 1.00 EP300 (0.52) EP300ADORA2ACYP3A4CYP2D6ALDH1A1
SCHEMBL9583391 0.95 FGFR1 (0.52) EP300ADORA2ACYP3A4CYP2D6ALDH1A1
SCHEMBL9583536 0.87 CDK1 (0.46) EP300CYP3A4ALDH1A1
SCHEMBL9583245 0.87 CDK1 (0.46) EP300CYP3A4ALDH1A1
SCHEMBL9583142 0.87 CDK1 (0.46) EP300CYP3A4ALDH1A1
SCHEMBL9583458 0.87 CDK1 (0.46) EP300CYP3A4ALDH1A1
SCHEMBL9583472 0.86 P2RY1 (0.46) EP300ALDH1A1
SCHEMBL9584012 0.86 CYP1A2 (0.52) EP300CYP3A4CYP2D6ALDH1A1
SCHEMBL9584499 0.86 CYP1A2 (0.46) EP300CYP2D6ALDH1A1
SCHEMBL9583606 0.86 ADORA2A (0.45) EP300ADORA2ACYP3A4ALDH1A1ADCY5

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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