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Sugi Predict / Compounds / SCHEMBL18769050

SCHEMBL18769050

SCHEMBL18769050

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OCCOCCOP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C(O)[C@@H]3O)C(O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.75
▸ TGM2 P21980 1/20 0.75
▸ KRAS P01116 8/20 0.72
▸ FUT5 Q11128 1/20 0.67
▸ P2RY2 P41231 1/20 0.63
▸ P2RY4 P51582 1/20 0.63
▸ P2RY6 Q15077 1/20 0.63
▸ HINT1 P49773 1/20 0.62
▸ P2RX3 P56373 1/20 0.62
▸ IMPDH2 P12268 6/20 0.62
▸ IMPDH1 P20839 2/20 0.62

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
SCHEMBL18769051 1.00 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL21171613 1.00 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL24322609 1.00 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL21413953 0.96 NT5E (0.70) NT5ETGM2KRASFUT5P2RY2
SCHEMBL8202050 0.95 NT5E (0.83) NT5ETGM2KRASFUT5P2RY2
SCHEMBL21742889 0.93 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL16144148 0.93 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL18759022 0.91 NT5E (0.73) NT5ETGM2KRASFUT5P2RY2
SCHEMBL851357 0.91 TGM2 (0.85) NT5ETGM2KRASFUT5P2RY2
SCHEMBL21067722 0.91 TGM2 (0.85) NT5ETGM2KRASFUT5P2RY2

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-2017066781-A1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE MODERNATX, INC. (US) 2017-04-20 — — WO disclosed