SCHEMBL3727493

SCHEMBL3727493

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)COc5ccccc5)ncnc43)[C@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.42
▸ ADORA1 P30542 7/20 0.38
▸ ADORA3 P0DMS8 6/20 0.38
▸ ADORA2B P29275 6/20 0.38
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ RNMT O43148 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ DOT1L Q8TEK3 1/20 0.34

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
SCHEMBL18787574 0.95 TYMP (0.42) TYMPADORA1ADORA3ADORA2BPRKAG1
SCHEMBL1327824 0.94 TYMP (0.40) TYMPADORA1ADORA3ADORA2BPRKAG1
SCHEMBL29581997 0.93 TYMP (0.43) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL26535891 0.93 TYMP (0.43) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL668595 0.93 TYMP (0.43) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL24878603 0.93 TYMP (0.43) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL25873876 0.93 TYMP (0.43) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL12765877 0.92 TYMP (0.39) TYMPADORA1ADORA3ADORA2BPRKAG1
SCHEMBL22787289 0.91 TYMP (0.42) TYMPADORA1ADORA3ADORA2BPRKAG1
SCHEMBL2258922 0.91 TYMP (0.43) 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
US-20100280098-A1 RECEPTOR TARGETED OLIGONUCLEOTIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-04 — — US disclosed
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