SCHEMBL13467469

SCHEMBL13467469

COc1cc(C(C)Nc2ncnc3c2ncn3[C@H]2CC[C@@H](CO)O2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.52
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PRKAB1 Q9Y478 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL13467484 0.89 PRKAG1 (0.53) PAX8PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL14713461 0.85 PRKAG1 (0.55) PAX8PRKAG1PRKAA1PRKAB1
SCHEMBL12579672 0.85 PRKAG1 (0.55) PAX8PRKAG1PRKAA1PRKAB1
SCHEMBL20626486 0.85 PRKAG1 (0.55) PAX8PRKAG1PRKAA1PRKAB1
SCHEMBL13467459 0.82 ABL1 (0.56) PRKAG1PRKAA1PRKAB1ALDH1A1LMNA
SCHEMBL20626294 0.82 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL14714052 0.82 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL20626293 0.82 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL14713327 0.82 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL27881273 0.82 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ALDH1A1

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
Send feedback