SCHEMBL11092809

SCHEMBL11092809

C=COSC(=O)OCCCOC(OC(=O)SOC=C)n1cnc2c(NC)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 8/20 0.41
▸ P2RY1 P47900 3/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37

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
SCHEMBL10814186 0.81 YTHDC1 (0.39) YTHDC1P2RY1
SCHEMBL9583411 0.77 YTHDC1 (0.46) YTHDC1P2RY1NPC1POLBCDK5
SCHEMBL11096314 0.77 CDK5 (0.38) CDK5CDK5R1
SCHEMBL10815472 0.76 YTHDC1 (0.47) YTHDC1NPC1POLBCDK5CDK5R1
SCHEMBL11121820 0.76 HDAC1 (0.39) CDK5CDK5R1
SCHEMBL9583290 0.73 CDK5 (0.42) P2RY1NPC1CDK5CDK5R1
SCHEMBL11099072 0.70 CDK1 (0.38) CDK5CDK5R1
SCHEMBL10818029 0.70 HDAC1 (0.42) YTHDC1
SCHEMBL9583883 0.69 YTHDC1 (0.50) YTHDC1P2RY1
SCHEMBL10814378 0.69 CCNB2 (0.43) YTHDC1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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