SCHEMBL17133295

SCHEMBL17133295

C#C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n2cc(F)c3c(N)ncnc32)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.43
▸ P2RY2 P41231 4/20 0.43
▸ P2RY11 Q96G91 1/20 0.43
▸ POLG P54098 1/20 0.40
▸ P2RX1 P51575 4/20 0.38
▸ P2RX3 P56373 4/20 0.38
▸ P2RX2 Q9UBL9 2/20 0.38
▸ P2RX4 Q99571 3/20 0.38
▸ POLRMT O00411 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RNASEL Q05823 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL17106860 1.00 P2RY1 (0.43) P2RY1P2RY2P2RY11POLGP2RX1
SCHEMBL17111278 1.00 P2RY1 (0.43) P2RY1P2RY2P2RY11POLGP2RX1
SCHEMBL17130388 0.91 P2RY2 (0.42) P2RY1P2RY2P2RY11P2RX1P2RX3
SCHEMBL17114351 0.91 P2RY2 (0.42) P2RY1P2RY2P2RY11P2RX1P2RX3
SCHEMBL17111226 0.91 P2RY1 (0.42) P2RY1P2RY2P2RY11P2RX1P2RX3
SCHEMBL17106737 0.91 P2RY1 (0.42) P2RY1P2RY2P2RY11P2RX1P2RX3
SCHEMBL18521055 0.88 TAS1R3 (0.36) —
SCHEMBL18670625 0.87 P2RY1 (0.43) P2RY1P2RY2P2RY11POLG
SCHEMBL19412751 0.87 P2RY1 (0.45) P2RY1P2RY2P2RY11POLGP2RX1
SCHEMBL17106665 0.85 P2RY2 (0.43) P2RY1P2RY2P2RY11POLGP2RX1

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-2015143712-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
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