SCHEMBL18486265

SCHEMBL18486265

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(C=Cc5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.39
ADORA1 P30542 2/20 0.33
NNMT P40261 2/20 0.33
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL19689071 1.00 TYMP (0.39) TYMPADORA1NNMTEGFRERBB2
SCHEMBL17363634 0.95 TYMP (0.38) TYMPADORA1NNMT
SCHEMBL17363637 0.95 TYMP (0.38) TYMPADORA1NNMT
SCHEMBL24191249 0.88 TYMP (0.47) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL24191301 0.88 ADORA1 (0.43) TYMPADORA1NNMTEGFRERBB2
SCHEMBL16871849 0.88 TYMP (0.41) TYMPADORA1
SCHEMBL16871825 0.88 TYMP (0.38) TYMPADORA1NNMT
SCHEMBL18486397 0.88 SLC28A2 (0.34) TYMP
SCHEMBL19689094 0.88 SLC28A2 (0.34) TYMP
SCHEMBL16326598 0.87 TYMP (0.40) TYMPADORA1PRKAG1PRKAA1PRKAB1

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
EP-3130597-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF Kyowa Hakko Kirin Co., Ltd. (JP) 2017-02-15 EP disclosed