SCHEMBL10815977

SCHEMBL10815977

CCCOC(=O)OCCCOC(OC(=O)OCCC)n1cnc2c(OCC)nc(NC)nc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.35
▸ CDK5R1 Q15078 5/20 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
SCHEMBL9584021 0.86 CDK5 (0.33) CDK5CDK5R1
SCHEMBL10818101 0.85 CDK5 (0.33) CDK5CDK5R1
SCHEMBL10814637 0.80 TMIGD3 (0.33) CDK5CDK5R1
SCHEMBL10817413 0.78 CDK1 (0.36) CDK5CDK5R1
SCHEMBL10814378 0.77 CCNB2 (0.43) —
SCHEMBL10818088 0.76 CDC20 (0.35) CDK5CDK5R1
SCHEMBL10815980 0.76 PDE3A (0.38) —
SCHEMBL9583290 0.76 CDK5 (0.42) CDK5CDK5R1
SCHEMBL10816708 0.76 CDK2 (0.37) CDK5CDK5R1
SCHEMBL10818085 0.75 CDK1 (0.40) CDK5CDK5R1

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
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
EP-0105135-A1 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) 1984-04-11 — — EP disclosed
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