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SCHEMBL22034291

SCHEMBL22034291

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=S)(OCCC#N)O[C@H]3[C@H](F)[C@H](n4nnc5c(NC(=O)c6ccccc6)ncnc54)O[C@@H]3CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[PH](=O)O)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ P2RY12 Q9H244 4/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ IMPDH2 P12268 1/20 0.31

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
SCHEMBL18490510 0.95 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18917307 0.93 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18917302 0.93 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL29881445 0.93 KDM4E (0.38) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL30849584 0.93 KDM4E (0.38) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL18490243 0.93 KDM4E (0.38) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL22301424 0.93 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6
SCHEMBL20474394 0.93 KDM4E (0.37) KDM4ETAS1R3TAS1R1P2RY12PRMT6
Pyridine SCHEMBL22034289 0.91 TYMP (0.33) TAS1R3TAS1R1
SCHEMBL22301419 0.90 KDM4E (0.39) KDM4ETAS1R3TAS1R1P2RY12PRMT6

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-3891164-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 — — EP disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
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