SCHEMBL7072867

SCHEMBL7072867

[13CH3]N([13CH3])c1nc2ncncc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.49
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
NPY5R Q15761 1/20 0.35
EGFR P00533 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ENPP1 P22413 1/20 0.32
AURKA O14965 6/20 0.32
KIF11 P52732 1/20 0.32
MAT2A P31153 1/20 0.31
CDK2 P24941 2/20 0.31
SGK1 O00141 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CSNK2A2 P19784 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL1445584 1.00 NUDT1 (0.49) NUDT1METAP2METAP1NPY5REGFR
SCHEMBL31064848 0.79 SMN1; SMN2 (0.52) NUDT1METAP2METAP1NPY5REGFR
SCHEMBL375955 0.79 SMN1; SMN2 (0.52) NUDT1METAP2METAP1NPY5REGFR
SCHEMBL9827151 0.78 METAP2 (0.37) NUDT1METAP2METAP1NPY5RENPP1
SCHEMBL4069549 0.75 METAP2 (0.49) METAP2METAP1NPY5REGFRLMNA
SCHEMBL9121473 0.72 METAP2 (0.45) METAP2METAP1NPY5RSMN1; SMN2ENPP1
SCHEMBL4241036 0.72 METAP2 (0.37) METAP2METAP1NPY5R
SCHEMBL7574497 0.72 METAP2 (0.37) METAP2METAP1NPY5RENPP1
SCHEMBL3894 0.71 METAP2 (0.47) METAP2METAP1NPY5RENPP1
SCHEMBL277596 0.71 METAP2 (0.51) METAP2METAP1NPY5REGFRENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304124-A1 Diagnostic agent for diabetes comprising 13C labelled compound Tokyo Gas Co., Ltd. (JP) 2003-04-23 EP disclosed
US-6509002-B1 Carbon 13 labeled lactic acid and carrier for parenteral or oral administration; measuring radioactivity level of exhaled carbon monoxide; accurate even in light cases where subject exhibits normal blood sugar levels at time of fasting TOKYO GAS COMPANY LIMITED (JP) 2003-01-21 US disclosed
EP-0913161-A2 Diagnostic agent for diabetes Tokyo Gas Co., Ltd. (JP) 1999-05-06 EP disclosed