SCHEMBL24081978

SCHEMBL24081978

Nc1nc(N)c2ncn(C[C@@H]3C[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]3F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.41
▸ ENPP1 P22413 2/20 0.41
▸ P2RX1 P51575 2/20 0.41
▸ P2RX3 P56373 2/20 0.41
▸ P2RY11 Q96G91 2/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ POLG P54098 1/20 0.41
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.39
▸ PNP P00491 1/20 0.39
▸ P2RY2 P41231 3/20 0.39
▸ RNASEL Q05823 1/20 0.39
▸ GPR17 Q13304 2/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL24081984 0.89 P2RY1 (0.42) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL23760782 0.80 P2RY1 (0.42) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL20058653 0.78 P2RY1 (0.47) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL23761014 0.78 P2RY1 (0.42) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL23760932 0.76 P2RY1 (0.49) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL21257339 0.74 P2RX3 (0.53) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL25720747 0.74 P2RY1 (0.51) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL23760787 0.74 P2RY1 (0.47) P2RY1ENPP1P2RX1P2RX3P2RY11
SCHEMBL24081997 0.73 P2RX3 (0.57) P2RY1P2RX1P2RX3P2RY11P2RX4
SCHEMBL18503420 0.71 P2RY1 (0.54) P2RY1ENPP1P2RX1P2RX3P2RY11

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-3512863-B1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT ATEA PHARMACEUTICALS INC (US) 2021-12-08 — — EP disclosed
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