SCHEMBL8764949

SCHEMBL8764949

COCC(=O)Nc1nc(OC)c2[nH]cnc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.48
MGMT P16455 3/20 0.45
LRRK2 Q5S007 1/20 0.43
PDPK1 O15530 1/20 0.42
MAPT P10636 1/20 0.42
CDK2 P24941 10/20 0.41
CDK1 P06493 8/20 0.41
CCNB1 P14635 8/20 0.41
CCNA2 P20248 8/20 0.41
CCNA1 P78396 8/20 0.41
CCNB2 O95067 7/20 0.41
CCNB3 Q8WWL7 7/20 0.41
STAT3 P40763 2/20 0.41
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL8764937 0.86 MAPT (0.48) MGMTLRRK2MAPTCDK1STAT3
SCHEMBL3072990 0.74 GDA (0.67)
SCHEMBL8764928 0.71 CDK8 (0.37) MAPTCDK2
SCHEMBL9503859 0.70 PDPK1 (0.56) POLA1MGMTPDPK1CDK2CDK1
SCHEMBL3303363 0.68 PIN1 (0.59) MGMTCDK2CDK1CCNB1CCNA2
SCHEMBL30677864 0.68 PDPK1 (0.58) POLA1MGMTPDPK1CDK2CDK1
Methylguanine SCHEMBL231097 0.67 CDK1 (0.69) MGMTPDPK1CDK2CDK1CCNB1
SCHEMBL1443987 0.67 PDPK1 (0.56) POLA1PDPK1CDK2CDK1CCNB1
Methylguanine SCHEMBL29903462 0.67 CDK1 (0.69) MGMTPDPK1CDK2CDK1CCNB1
SCHEMBL7108861 0.65 POLA1 (1.00) POLA1MAPTCDK2CDK1CCNB1

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 3 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
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
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