SCHEMBL20938423

SCHEMBL20938423

CC1(C)OB(c2cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c3ncnc(N)c23)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.49
▸ P2RX4 Q99571 3/20 0.49
▸ P2RX2 Q9UBL9 3/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ GAPDH P04406 2/20 0.43
▸ ENPP1 P22413 1/20 0.41
▸ HRAS P01112 1/20 0.41
▸ P2RX1 P51575 2/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ P2RX6 O15547 1/20 0.40
▸ P2RX5 Q93086 1/20 0.40
▸ P2RY11 Q96G91 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39

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
SCHEMBL27094317 0.91 GAPDH (0.46) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL20938335 0.84 P2RX3 (0.55) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL20938425 0.84 P2RX3 (0.54) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL7110607 0.82 P2RX3 (0.53) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL6099599 0.81 P2RX3 (0.55) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL6099608 0.81 P2RX3 (0.55) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL20058777 0.79 ADK (0.51) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL20141981 0.78 HRAS (0.60) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL13169185 0.78 P2RX3 (0.75) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL9189337 0.78 P2RX3 (0.75) P2RX3P2RX4P2RX2MEN1USP2

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-2019076633-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS UNIVERSITEIT GENT (BE) 2019-04-25 — — WO disclosed
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