SCHEMBL9809157

SCHEMBL9809157

COCNCCc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
GDA Q9Y2T3 1/20 0.45
POLA1 P09884 2/20 0.40
CDK1 P06493 6/20 0.37
CCNB1 P14635 6/20 0.37
CCNA2 P20248 6/20 0.37
CDK2 P24941 6/20 0.37
CCNA1 P78396 6/20 0.37
IP6K1 Q92551 2/20 0.37
LMNA P02545 2/20 0.36
PIN1 Q13526 1/20 0.36
HTT P42858 1/20 0.36
DRD3 P35462 1/20 0.36
PI4KA P42356 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MGMT P16455 1/20 0.36

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
SCHEMBL7165317 0.82 PDPK1 (0.51) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL29478477 0.82 PDPK1 (0.51) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL11222102 0.80 PDPK1 (0.63) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL29514836 0.77 PDPK1 (0.56) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL215054 0.77 PDPK1 (0.56) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL2060120 0.76 GDA (0.45) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL9204966 0.76 PDPK1 (0.47) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL6379588 0.75 PDPK1 (0.58) PDPK1GDAPOLA1CDK1CCNB1
Hydrochloric Acid SCHEMBL10339773 0.75 PDPK1 (0.46) PDPK1GDAPOLA1CDK1CCNB1
SCHEMBL1074970 0.75 POLA1 (0.57) PDPK1GDAPOLA1CDK1CCNB1

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
JP-3109305-A None JP disclosed
JP-H03109305-A PLANT GROWTH CONTROL AGENT MITSUBISHI GAS CHEM CO INC 1991-05-09 JP disclosed