SCHEMBL9583391

SCHEMBL9583391

CCCCCCCCCC(=O)OCC(CO)OCn1cnc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.52
▸ EP300 Q09472 2/20 0.50
▸ ADORA2A P29274 1/20 0.47
▸ CYP3A4 P08684 7/20 0.47
▸ CYP2D6 P10635 7/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ PRKCA P17252 2/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ ADCY5 O95622 1/20 0.45
▸ PDE3A Q14432 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
SCHEMBL9584645 0.95 EP300 (0.52) FGFR1EP300ADORA2ACYP3A4CYP2D6
SCHEMBL9584354 0.95 EP300 (0.52) FGFR1EP300ADORA2ACYP3A4CYP2D6
SCHEMBL9583468 0.86 PDE3A (0.47) FGFR1EP300CYP3A4ALDH1A1PRKCA
SCHEMBL9583885 0.86 CYP1A2 (0.50) FGFR1EP300ALDH1A1PRKCAPRKCE
SCHEMBL10818140 0.83 ADORA2A (0.50) ADORA2ACYP3A4ALDH1A1ADCY5PDE3A
SCHEMBL9583644 0.83 CYP1A2 (0.45) FGFR1CYP3A4CYP2D6ALDH1A1PRKCA
SCHEMBL9583142 0.83 CDK1 (0.46) EP300CYP3A4ALDH1A1PRKCAPRKCE
SCHEMBL9583536 0.83 CDK1 (0.46) EP300CYP3A4ALDH1A1PRKCAPRKCE
SCHEMBL9583245 0.83 CDK1 (0.46) EP300CYP3A4ALDH1A1PRKCAPRKCE
SCHEMBL9583458 0.83 CDK1 (0.46) EP300CYP3A4ALDH1A1PRKCAPRKCE

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
Send feedback