SCHEMBL23761014

SCHEMBL23761014

C[C@H]1C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N[C@H]1Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.42
▸ P2RX1 P51575 3/20 0.42
▸ P2RX3 P56373 3/20 0.42
▸ ENPP1 P22413 2/20 0.42
▸ P2RX4 Q99571 2/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42
▸ POLG P54098 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ PNP P00491 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 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
SCHEMBL24081967 0.89 P2RX1 (0.49) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL24081984 0.83 P2RY1 (0.42) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23760791 0.82 TRPM2 (0.48) P2RY1P2RX1P2RX3P2RX4P2RY11
SCHEMBL20058653 0.82 P2RY1 (0.47) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23760782 0.82 P2RY1 (0.42) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL24081978 0.78 P2RY1 (0.41) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23584294 0.75 P2RY1 (0.57) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL12932312 0.75 P2RY1 (0.57) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL24081955 0.73 P2RX3 (0.51) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL25720747 0.73 P2RY1 (0.51) P2RY1P2RX1P2RX3ENPP1P2RX4

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 2 patents. 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
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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