SCHEMBL23760893

SCHEMBL23760893

C=CN(CC1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]1F)c1nc(N)nc(N(C)C2CC2)c1N

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.32
▸ P2RY1 P47900 2/20 0.32
▸ P2RX1 P51575 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ P2RY11 Q96G91 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.31
▸ RNASEL Q05823 1/20 0.31
▸ POLG P54098 2/20 0.31
▸ NT5E P21589 1/20 0.31

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
SCHEMBL23760936 0.92 ENPP1 (0.33) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL24081845 0.81 ENPP1 (0.30) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL24081936 0.79 NT5E (0.40) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL24081826 0.73 NT5E (0.48) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL23761030 0.72 RNASEL (0.40) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL23760903 0.68 NT5E (0.47) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL21136499 0.67 NT5E (0.55) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL21136126 0.67 NT5E (0.64) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL21136888 0.67 NT5E (0.64) ENPP1P2RY1P2RX1P2RX3P2RY6
SCHEMBL21137148 0.67 NT5E (0.44) ENPP1P2RY1P2RX1P2RX3P2RY6

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-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 — — EP disclosed
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