SCHEMBL13467484

SCHEMBL13467484

COc1cc(C(C)Nc2ncnc3c2ncn3[C@H]2CC[C@@H](CO)O2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.53
▸ PRKAA1 Q13131 1/20 0.53
▸ PRKAB1 Q9Y478 1/20 0.53
▸ PAX8 Q06710 1/20 0.47
▸ NR2F2 P24468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42

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
SCHEMBL13467469 0.89 PAX8 (0.52) PRKAG1PRKAA1PRKAB1PAX8ALDH1A1
SCHEMBL13467459 0.83 ABL1 (0.56) PRKAG1PRKAA1PRKAB1NR2F2ALDH1A1
SCHEMBL14714017 0.83 PRKAG1 (0.77) PRKAG1PRKAA1PRKAB1
SCHEMBL20626452 0.83 PRKAG1 (0.77) PRKAG1PRKAA1PRKAB1
SCHEMBL20626451 0.83 PRKAG1 (0.77) PRKAG1PRKAA1PRKAB1
SCHEMBL14713323 0.83 PRKAG1 (0.77) PRKAG1PRKAA1PRKAB1
SCHEMBL13467449 0.82 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1NR2F2ALDH1A1
SCHEMBL13467415 0.77 NR2F2 (0.49) NR2F2ABL1RIN1
SCHEMBL12579979 0.77 ALDH1A1 (0.48) NR2F2ALDH1A1LMNAALBMAPK1
SCHEMBL2036287 0.76 ALDH1A1 (0.55) NR2F2ALDH1A1LMNAALBMAPK1

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-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
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