SCHEMBL31029199

SCHEMBL31029199

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.68
▸ P2RX3 P56373 3/20 0.68
▸ ENPP1 P22413 2/20 0.68
▸ P2RX1 P51575 2/20 0.68
▸ P2RX4 Q99571 2/20 0.68
▸ P2RY11 Q96G91 2/20 0.68
▸ P2RY6 Q15077 1/20 0.68
▸ P2RY12 Q9H244 2/20 0.67
▸ RNASEL Q05823 4/20 0.64
▸ P2RY2 P41231 2/20 0.62
▸ P2RX2 Q9UBL9 2/20 0.62
▸ SRC P12931 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ GPR17 Q13304 2/20 0.60
▸ NT5E P21589 2/20 0.60

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
SCHEMBL16081125 0.93 P2RX3 (0.68) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL29471281 0.92 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL14948878 0.92 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL1763062 0.92 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL1527226 0.92 P2RY1 (0.69) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL6880958 0.91 P2RY1 (0.65) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL16081087 0.90 P2RY1 (0.56) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL16081121 0.89 P2RY1 (0.55) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL20820173 0.89 P2RY1 (0.55) P2RY1P2RX3ENPP1P2RX1P2RX4
SCHEMBL625828 0.88 P2RY1 (0.79) P2RY1P2RX3ENPP1P2RX1P2RX4

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
US-12048738-B2 Composition for treating prostate cancer (PCa) CureVac SE (DE) 2024-07-30 — — US disclosed
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