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Pyridine

Pyridine

SCHEMBL22034362

COc1ccc(C(OC[C@H]2O[C@@H](n3nnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](F)[C@@H]2OP(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@@H](O[PH](=O)O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.c1ccncc1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18490413 0.94 TYMP (0.37) TYMPKDM4E
Pyridine SCHEMBL22034289 0.92 TYMP (0.33) TYMP
SCHEMBL22301454 0.92 TYMP (0.39) TYMPKDM4E
Pyridine SCHEMBL22034208 0.91 TYMP (0.30) TYMP
SCHEMBL22034199 0.90 TYMP (0.35) TYMPKDM4E
SCHEMBL18490321 0.89 TYMP (0.39) TYMPKDM4E
SCHEMBL20474396 0.89 TYMP (0.39) TYMPKDM4E
SCHEMBL22301452 0.89 TYMP (0.39) TYMPKDM4E
SCHEMBL18490433 0.89 KDM4E (0.38) TYMPKDM4E
SCHEMBL22034215 0.86 TYMP (0.31) TYMPKDM4E

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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