SCHEMBL3396378

SCHEMBL3396378

NNc1nc(N)nc2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.61
GDA Q9Y2T3 1/20 0.61
CDK2 P24941 1/20 0.58
DPP4 P27487 1/20 0.58
CDK1 P06493 1/20 0.57
BRAF P15056 10/20 0.56
NUDT1 P36639 1/20 0.55
PRKACA P17612 3/20 0.54
MAP3K5 Q99683 1/20 0.53
EIF2AK2 P19525 1/20 0.51

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
SCHEMBL29672206 0.84 PDPK1 (0.59) PDPK1GDACDK2DPP4CDK1
SCHEMBL164700 0.84 XDH (0.65) PDPK1GDACDK2DPP4CDK1
SCHEMBL2938906 0.84 PDPK1 (0.59) PDPK1GDACDK2DPP4CDK1
SCHEMBL332978 0.80 BRAF (0.60) PDPK1GDACDK2DPP4CDK1
SCHEMBL27820320 0.80 PDPK1 (0.54) PDPK1GDACDK2DPP4CDK1
SCHEMBL16147021 0.80 CDK1 (0.63) PDPK1GDACDK2DPP4CDK1
SCHEMBL10838746 0.78 NUDT1 (0.67) PDPK1GDACDK2DPP4CDK1
SCHEMBL133157 0.78 LMNA (0.54) PDPK1GDACDK2DPP4CDK1
SCHEMBL5355413 0.77 BRAF (0.73) CDK1BRAFNUDT1EIF2AK2
SCHEMBL16146643 0.77 MGMT (0.55) PDPK1GDACDK2DPP4CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019227847-A1 CHITOSAN-BASED IONIC CONDUCTIVE MATERIAL CONTAINING PURINE STRUCTURE AND PREPARATION METHOD THEREOF 华南理工大学 (CN) 2019-12-05 WO claimed
US-11254982-B2 Osmiumtetroxide-based conversion of RNA and DNA containing thiolated nucleotides UNIVERSITY OF INNSBRUCK (AT) 2022-02-22 US disclosed
US-20200048700-A1 OSMIUMTETROXIDE-BASED CONVERSION OF RNA AND DNA CONTAINING THIOLATED NUCLEOTIDES UNIVERSITY OF INNSBRUCK (AT) 2020-02-13 US disclosed
CN-109036623-A A kind of cellulose base ion conductive material of purine-containing structure and preparation method thereof 华南理工大学 2018-12-18 CN disclosed
EP-2249874-A1 METHODS AND MEANS FOR TREATING DNA REPEAT INSTABILITY ASSOCIATED GENETIC DISORDERS ProSensa Holding BV (NL) 2010-11-17 EP disclosed
WO-2009099326-A1 METHODS AND MEANS FOR TREATING DNA REPEAT INSTABILITY ASSOCIATED GENETIC DISORDERS PROSENSA HOLDING BV (NL) 2009-08-13 WO disclosed