SCHEMBL13467459

SCHEMBL13467459

C[C@H](Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.56
▸ RIN1 Q13671 2/20 0.56
▸ PRKAG1 P54619 1/20 0.54
▸ PRKAA1 Q13131 1/20 0.54
▸ PRKAB1 Q9Y478 1/20 0.54
▸ NR2F2 P24468 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAPK1 P28482 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
SCHEMBL13467449 0.89 PRKAG1 (0.52) ABL1RIN1PRKAG1PRKAA1PRKAB1
SCHEMBL13467484 0.83 PRKAG1 (0.53) ABL1RIN1PRKAG1PRKAA1PRKAB1
SCHEMBL13467469 0.82 PAX8 (0.52) PRKAG1PRKAA1PRKAB1ALDH1A1LMNA
SCHEMBL2041441 0.81 YTHDC1 (0.59) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL29318369 0.81 YTHDC1 (0.59) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL20626461 0.80 PRKAG1 (0.80) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL20626459 0.80 PRKAG1 (0.80) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL20626178 0.80 PRKAG1 (0.80) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL20626179 0.80 PRKAG1 (0.80) PRKAG1PRKAA1PRKAB1ALDH1A1
SCHEMBL14713339 0.80 PRKAG1 (0.80) 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
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