SCHEMBL4943558

SCHEMBL4943558

Nc1nc(-c2ncc[nH]2)c2[nH]cnc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
GDA Q9Y2T3 1/20 0.54
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CDK2 P24941 13/20 0.51
DPP4 P27487 1/20 0.51
MAP3K5 Q99683 1/20 0.47
CDK1 P06493 12/20 0.44
CCNB1 P14635 12/20 0.44
CCNA2 P20248 11/20 0.44
CCNA1 P78396 11/20 0.44
MGMT P16455 5/20 0.42
PIN1 Q13526 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 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
SCHEMBL4946019 0.75 PI4KA (0.47) PDPK1CDK2MAP3K5LMNACYP1A2
SCHEMBL2933190 0.72 ADORA1 (0.69) PDPK1GDAADORA2AADORA1CDK2
SCHEMBL887880 0.72 PDPK1 (0.51) PDPK1GDAADORA2AADORA1CDK2
SCHEMBL4945758 0.72 GDA (0.50) PDPK1GDACDK2CDK1CCNB1
2,6-Diaminopurine SCHEMBL24053 0.71 PDPK1 (1.00) PDPK1GDAADORA2AADORA1CDK2
2,6-Diaminopurine SCHEMBL27891733 0.70 PDPK1 (0.96) PDPK1GDAADORA2AADORA1CDK2
2,6-Diaminopurine SCHEMBL28206545 0.70 PDPK1 (0.96) PDPK1GDAADORA2AADORA1CDK2
2,6-Diaminopurine SCHEMBL8757979 0.70 PDPK1 (0.96) PDPK1GDAADORA2AADORA1CDK2
SCHEMBL27691725 0.69 ADORA2A (1.00) PDPK1GDAADORA2AADORA1CDK2
6-Chloroguanine SCHEMBL64059 0.68 DPP4 (1.00) PDPK1GDAADORA2AADORA1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1895841-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES Brigham Young University (US) 2008-03-12 EP disclosed
WO-2006138396-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES BRIGHAM YOUNG UNIVERSITY, TRANSFER TECHNOLOGY OFFICE (US) 2006-12-28 WO disclosed