SCHEMBL12579904

SCHEMBL12579904

Cc1ccc([C@H](C)Nc2ncnc3c2ncn3[C@H]2CC(O)[C@@H](CO)O2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.59
▸ PRKAA1 Q13131 1/20 0.59
▸ PRKAB1 Q9Y478 1/20 0.59
▸ HIF1A Q16665 1/20 0.58
▸ SLC29A1 Q99808 1/20 0.55

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
SCHEMBL9913206 0.92 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL14873540 0.92 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL12579920 0.92 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL12579207 0.90 SLC29A1 (0.57) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL13467661 0.87 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL25098371 0.86 HIF1A (0.67) HIF1ASLC29A1
SCHEMBL12579620 0.84 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL14713461 0.84 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL20626486 0.84 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1
SCHEMBL12579672 0.84 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1HIF1ASLC29A1

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-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 — — EP disclosed
WO-2011069294-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF 中国医学科学院药物研究所 (CN) 2011-06-16 — — WO disclosed
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