SCHEMBL8764937

SCHEMBL8764937

COCC(=O)Nc1nc(NC(=O)COC)c2[nH]cnc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
STAT3 P40763 3/20 0.46
IP6K1 Q92551 4/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
SYK P43405 2/20 0.42
CDK1 P06493 1/20 0.41
XDH P47989 1/20 0.40
MGMT P16455 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL8764949 0.86 POLA1 (0.48) MAPTSTAT3CDK1MGMTKDR
SCHEMBL8764928 0.80 CDK8 (0.37) MAPT
SCHEMBL31506448 0.77 GDA (0.55) MAPTSTAT3SYKXDHKDR
SCHEMBL750335 0.77 GDA (0.55) MAPTSTAT3SYKXDHKDR
SCHEMBL3072990 0.75 GDA (0.67) XDH
SCHEMBL1358803 0.74 SYK (0.46) MAPTSTAT3SYKCDK1XDH
SCHEMBL8718988 0.73 SYK (0.46) MAPTSTAT3SYKCDK1XDH
SCHEMBL8660442 0.72 EGFR (0.47) MAPTSTAT3HDAC1HDAC2SYK
SCHEMBL5694112 0.70 NPC1 (0.49) MAPTADORA3
SCHEMBL8121393 0.69 STAT3 (0.69) STAT3IP6K1HDAC1HDAC2CDK1

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