SCHEMBL8665069

SCHEMBL8665069

Nc1ncnc2c1ncn2C1CC(OCP(=O)(O)O)C(O)C1F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.52
ADORA2B P29275 1/20 0.51
NT5E P21589 1/20 0.51
RNASEL Q05823 1/20 0.49

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
SCHEMBL8661479 1.00 AHCY (0.52) AHCYADORA2BNT5ERNASEL
SCHEMBL8661786 0.88 AHCY (0.51) AHCYADORA2BNT5ERNASEL
SCHEMBL8663380 0.88 AHCY (0.51) AHCYADORA2BNT5ERNASEL
SCHEMBL8661848 0.85 P2RY1 (0.49) AHCYADORA2B
SCHEMBL8663828 0.81 HPRT1 (0.70) NT5E
SCHEMBL10421735 0.80 ADCY5 (0.60) ADORA2B
SCHEMBL15948724 0.80 ADCY5 (0.60) ADORA2B
SCHEMBL29365543 0.79 P2RY1 (0.55) NT5ERNASEL
SCHEMBL12300489 0.79 NT5E (0.61) NT5ERNASEL
SCHEMBL25607786 0.79 P2RY1 (0.55) NT5ERNASEL

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
US-5744600-A VIRICIDES, ANTITUMOR AGENTS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-04-28 US disclosed