SCHEMBL6821773

SCHEMBL6821773

NC(=O)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.45
DPP4 P27487 1/20 0.42
GDA Q9Y2T3 3/20 0.41
PDPK1 O15530 1/20 0.41
MGMT P16455 2/20 0.40
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.35
DRD3 P35462 1/20 0.35
PI4KA P42356 1/20 0.35

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
SCHEMBL218669 0.86 MGMT (0.45) PNPDPP4GDAPDPK1MGMT
Bromide SCHEMBL8165615 0.85 MGMT (0.44) PNPDPP4GDAPDPK1MGMT
Benzene SCHEMBL8024450 0.84 MGMT (0.43) PNPDPP4GDAPDPK1MGMT
SCHEMBL28627686 0.82 PNP (0.41) PNPDPP4GDAPDPK1MGMT
SCHEMBL453204 0.82 CYP1A2 (0.41) PNPDPP4GDAPDPK1MGMT
SCHEMBL28559768 0.81 MGMT (0.41) PNPDPP4GDAPDPK1MGMT
SCHEMBL8843878 0.80 PDE4A (0.43) PNPMGMTCDK2PDE4APDE4B
SCHEMBL5694191 0.80 NPC1 (0.51) PNPMGMTCDK2ALDH1A1CYP1A2
SCHEMBL10755117 0.79 PNP (0.38) PNPDPP4GDAPDPK1MGMT
SCHEMBL3072987 0.79 MGMT (0.45) PNPDPP4GDAPDPK1MGMT

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
US-20040209352-A1 Integrated electrode and cell immobilization device equipped with the integrated electrode MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD (JP) 2004-10-21 US claimed
US-20040209352-A1 Integrated electrode and cell immobilization device equipped with the integrated electrode MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD (JP) 2004-10-21 US disclosed