SCHEMBL14922196

SCHEMBL14922196

COc1cccc(Nc2ncnc3c2ncn3C2OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.83
▸ PRKAG1 P54619 1/20 0.83
▸ PRKAA2 P54646 1/20 0.83
▸ PRKAA1 Q13131 1/20 0.83
▸ PRKAG3 Q9UGI9 1/20 0.83
▸ PRKAG2 Q9UGJ0 1/20 0.83
▸ PRKAB1 Q9Y478 1/20 0.83
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ADORA1 P30542 2/20 0.51
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ ADORA2A P29274 2/20 0.48
▸ ADORA2B P29275 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL19236034 0.91 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL716606 0.91 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29611296 0.91 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001662 0.91 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001663 0.91 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20663726 0.88 PRKAB2 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28929294 0.83 PRKAB2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30166053 0.83 PRKAB2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19630453 0.83 PRKAB2 (0.87) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20880463 0.83 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-8435962-B2 Triacetyl-3-hydroxyphenyladenosine and its use for regulating blood fat INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-05-07 — — US disclosed
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