SCHEMBL4869642

SCHEMBL4869642

Nc1nc(OCc2ccccc2)c2ncn(CCO)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 6/20 0.62
CYP3A4 P08684 3/20 0.49
MPO P05164 1/20 0.49
TPO P07202 1/20 0.49
EPX P11678 1/20 0.49
DAPK1 P53355 1/20 0.49
ADORA2A P29274 6/20 0.47
CDK1 P06493 3/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
CDK2 P24941 3/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CCNA1 P78396 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL5930450 0.88 MGMT (0.58) MGMTCYP3A4MPOTPOEPX
SCHEMBL11255779 0.86 MGMT (0.56) MGMTCYP3A4MPOTPOEPX
SCHEMBL25500746 0.85 MGMT (0.55) MGMTCYP3A4MPOTPOEPX
SCHEMBL2153643 0.84 MGMT (0.54) MGMTCYP3A4MPOTPOEPX
SCHEMBL8898522 0.83 MGMT (0.53) MGMTCYP3A4MPOTPOEPX
SCHEMBL3209666 0.82 CDK1 (0.60) MGMTCYP3A4MPOTPOEPX
SCHEMBL8896045 0.82 MGMT (0.52) MGMTCYP3A4MPOTPOEPX
SCHEMBL2734851 0.82 MGMT (0.56) MGMTCYP3A4MPOTPOEPX
SCHEMBL14963617 0.81 MGMT (0.51) MGMTCYP3A4MPOTPOEPX
SCHEMBL8898448 0.81 MGMT (0.51) MGMTCYP3A4MPOTPOEPX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080098-A1 Crystal and solvate of 2-amino-6-benzyloxypurine and production methods thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-14 US claimed
EP-1492791-A1 CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF Sumitomo Chemical Company, Limited (JP) 2005-01-05 EP claimed
WO-2003084957-A1 CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-10-16 WO claimed
US-7345170-B2 Crystal and solvate of 2-amino-6-benzyloxypurine and production methods thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-18 US disclosed
US-20050080098-A1 Crystal and solvate of 2-amino-6-benzyloxypurine and production methods thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-14 US disclosed
EP-1492791-A1 CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF Sumitomo Chemical Company, Limited (JP) 2005-01-05 EP disclosed
WO-2003084957-A1 CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-10-16 WO disclosed