SCHEMBL10814186

SCHEMBL10814186

C=COC(=S)OCCCOC(OC(=S)OC=C)n1cnc2c(NC)nc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 8/20 0.39
▸ P2RY1 P47900 3/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL11092809 0.81 YTHDC1 (0.41) YTHDC1P2RY1
SCHEMBL10818020 0.77 CDK5 (0.36) P2RY1
SCHEMBL10817682 0.76 HDAC1 (0.38) ADORA3
SCHEMBL9583411 0.75 YTHDC1 (0.46) YTHDC1P2RY1ADORA3
SCHEMBL10814193 0.75 P2RY1 (0.48) YTHDC1P2RY1
SCHEMBL10815472 0.74 YTHDC1 (0.47) YTHDC1ADORA3
SCHEMBL9583883 0.71 YTHDC1 (0.50) YTHDC1P2RY1
SCHEMBL9583290 0.70 CDK5 (0.42) P2RY1
SCHEMBL10818085 0.70 CDK1 (0.40) —
SCHEMBL10818029 0.68 HDAC1 (0.42) YTHDC1ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105135-B1 SUBSTITUTED 9-(1-0- OR 3-0-MONOSUBSTITUTED OR 1,3-DI-0-SUBSTITUTED 1,3 DIHYDROXY-2-PROPOXYMETHYL) PURINES AS ANTIVIRAL AGENTS SYNTEX (U.S.A.) INC. (US) 1987-03-18 — — EP disclosed
US-4609661-A HERPES VIRUS SYNTEX (U.S.A.) INC. (US) 1986-09-02 — — US disclosed
US-4556659-A Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-Di-0-substituted propoxymethyl)-purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1985-12-03 — — US disclosed
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