SCHEMBL31657586

SCHEMBL31657586

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(C)(F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.38
▸ PRMT6 Q96LA8 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ GAPDH P04406 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
SCHEMBL30091740 1.00 TYMP (0.38) TYMPPRMT6ADORA2APRKAG1PRKAA1
SCHEMBL7251049 0.95 TYMP (0.38) TYMPPRMT6ADORA2APRKAG1PRKAA1
SCHEMBL18822706 0.87 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL29644745 0.87 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL29471806 0.87 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL18927153 0.87 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL18511052 0.87 TYMP (0.42) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL24878603 0.87 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL15786367 0.87 TYMP (0.39) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL668595 0.87 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1

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
US-20250223588-A1 OLIGONUCLEOTIDES WITH 2'-DEOXY-2'-F-2'-C-METHYL NUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2025-07-10 — — US disclosed
Send feedback