SCHEMBL31036945

SCHEMBL31036945

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.49
▸ HINT1 P49773 5/20 0.49
▸ NT5E P21589 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ PNP P00491 1/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ TGM2 P21980 1/20 0.44
▸ KRAS P01116 3/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ FUT5 Q11128 1/20 0.42

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
SCHEMBL20017125 1.00 STING1 (0.49) STING1HINT1NT5EHPGDPNP
SCHEMBL20547910 1.00 STING1 (0.49) STING1HINT1NT5EHPGDPNP
SCHEMBL24377171 1.00 STING1 (0.49) STING1HINT1NT5EHPGDPNP
SCHEMBL26276126 1.00 STING1 (0.49) STING1HINT1NT5EHPGDPNP
SCHEMBL25813664 0.92 HINT1 (0.51) STING1HINT1NT5EHPGDPNP
SCHEMBL22577507 0.92 HINT1 (0.51) STING1HINT1NT5EHPGDPNP
SCHEMBL27216242 0.92 HINT1 (0.51) STING1HINT1NT5EHPGDPNP
SCHEMBL19590179 0.90 HPGD (0.54) STING1HINT1NT5EHPGDPNP
SCHEMBL25387704 0.90 HPGD (0.54) STING1HINT1NT5EHPGDPNP
SCHEMBL29479255 0.90 HPGD (0.54) STING1HINT1NT5EHPGDPNP

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-2024188308-A1 NUCLEOSIDE ANALOGUE AND USE THEREOF 上海华汇拓医药科技有限公司 2024-09-19 — — WO disclosed
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