SCHEMBL8764928

SCHEMBL8764928

COCC(=O)Nc1nc(NC(=O)COC)c2nc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.37
HPGD P15428 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL25921184 0.82 GAA (0.56) HPGDALDH1A1TSHRKDM4EGAA
SCHEMBL8764937 0.80 MAPT (0.48) MAPT
SCHEMBL9021288 0.77 CYP1A2 (0.40) ALDH1A1KDM4ECYP2C19RAB9A
SCHEMBL8764949 0.71 POLA1 (0.48) CDK2MAPT
SCHEMBL9412566 0.69 KDM4E (0.35) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL9412739 0.69 MAPT (0.35) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL8121389 0.69 BRD4 (0.51) HPGDHTT
SCHEMBL11876693 0.68 XDH (0.39) CDK2
SCHEMBL27157690 0.68 LMNA (0.33) HPGDALDH1A1KDM4E
SCHEMBL19979158 0.68 XDH (0.43) CDK8ALDH1A1CDK2CDK9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461407-B1 Improved process for the preparation of 2-amino(2,3,5-tri-O-benzyl-beta-D-arabinofuranosyl)adenine ASH STEVENS INC (US) 1997-07-30 EP disclosed
EP-0456817-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS INC (US) 1996-01-31 EP disclosed
US-5206351-A PROCESS FOR THE PREPARATION OF 2-AMINO (2,3,5-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE ASH STEVENS, INC. (US) 1993-04-27 US disclosed
US-5110919-A Economical preparation of nucleosides ASH STEVENS, INC. (US) 1992-05-05 US disclosed
EP-0456817-A4 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES 1992-04-22 EP disclosed
EP-0461407-A1 Improved process for the preparation of 2-amino(2,3,5-tri-O-benzyl-beta-D-arabinofuranosyl)adenine ASH STEVENS, INC. (US) 1991-12-18 EP disclosed
EP-0456817-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES. ASH STEVENS INC (US) 1991-11-21 EP disclosed
WO-1991008215-A1 PROCESS FOR THE PREPARATION OF 2-AMINO-9-(2,3,5-TRI-0-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE AND NOVEL INTERMEDIATES ASH STEVENS, INC. (US) 1991-06-13 WO disclosed