SCHEMBL882157

SCHEMBL882157

C[C@@]1(F)C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.45
▸ P2RX3 P56373 5/20 0.38
▸ P2RX4 Q99571 4/20 0.38
▸ P2RX1 P51575 3/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ P2RY2 P41231 2/20 0.34
▸ P2RY1 P47900 2/20 0.34
▸ P2RY11 Q96G91 1/20 0.34

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
SCHEMBL10171206 0.92 POLRMT (0.36) POLRMT
Gs-441326 SCHEMBL10149536 0.87 POLRMT (0.47) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL12464640 0.86 POLRMT (0.45) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL17129838 0.83 POLRMT (0.47) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL17129823 0.83 POLRMT (0.47) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL10142499 0.83 POLRMT (0.47) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL14052088 0.83 POLRMT (0.45) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL881457 0.82 TMPRSS2 (0.34) —
SCHEMBL24074599 0.81 POLRMT (0.49) POLRMTP2RX3P2RX4P2RX1P2RX2
SCHEMBL10141879 0.81 POLRMT (0.47) POLRMTP2RX3P2RX4P2RX1P2RX2

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
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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