SCHEMBL9603811

SCHEMBL9603811

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.49
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
P2RY12 Q9H244 5/20 0.45
P2RY1 P47900 2/20 0.43
P2RY2 P41231 1/20 0.42
P2RY6 Q15077 1/20 0.42
POLB P06746 1/20 0.42
DNPH1 O43598 1/20 0.41

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
SCHEMBL31093225 0.93 PRMT6 (0.48) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11049246 0.92 POLB (0.51) PRMT6POLB
SCHEMBL20534948 0.92 POLB (0.51) PRMT6POLB
SCHEMBL9850183 0.89 POLB (0.53) PRMT6P2RY12P2RY1P2RY2P2RY6
SCHEMBL9233205 0.89 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5180333 0.88 PRMT6 (0.43) PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11683614 0.84 POLB (0.61) POLB
SCHEMBL12362206 0.84 POLB (0.61) POLB
SCHEMBL19519648 0.84 POLB (0.61) POLB
SCHEMBL15143709 0.84 POLB (0.61) POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 EP disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 US disclosed
EP-0355135-A4 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES. SCRIPPS CLINIC RES (US) 1990-04-09 EP disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 EP disclosed
WO-1989004662-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-06-01 WO disclosed