SCHEMBL11025980

SCHEMBL11025980

N=C(N)Nc1ncc(N)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28419373 0.80 GAA (0.46) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL2944896 0.72 RAB9A (0.42) MEN1ALDH1A1GAAMAPTMAPK1
SCHEMBL4264509 0.70 HTT (0.38) ALDH1A1KMT2A
SCHEMBL9682894 0.69 BCL6 (0.47) GAAMAPTMAPK1RAB9A
SCHEMBL11022700 0.68 MAPT (0.33) MAPT
SCHEMBL31548018 0.68 MAP3K5 (0.47)
SCHEMBL497359 0.68 MAP3K5 (0.47)
SCHEMBL11038105 0.68 SCN9A (0.46) MEN1KMT2A
SCHEMBL2780925 0.67 LMNA (0.42) ALDH1A1GAAMAPT
SCHEMBL135748 0.67 LMNA (0.31)

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-0062439-B1 GUANIDINOPYRIMIDINES SMITHKLINE BECKMAN CORPORATION (US) 1985-03-20 EP disclosed
EP-0062439-A1 Guanidinopyrimidines SMITHKLINE BECKMAN CORPORATION (US) 1982-10-13 EP disclosed
US-4336254-A Guanidinopyrimidine compounds, compositions and method of using as a diuretic SMITHKLINE CORPORATION (US) 1982-06-22 US disclosed