SCHEMBL8418876

SCHEMBL8418876

N#Cc1cn(-c2ccccc2)c(=O)n(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GRIA1 P42261 1/20 0.40
GRIA3 P42263 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.36
ESRRA P11474 1/20 0.36
BCAT1 P54687 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL15688189 0.75 KDM4E (0.44) KDM4EALDH1A1LMNAKMT2A
SCHEMBL8561900 0.74 KDM4E (0.56) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL11272953 0.74 KDM4E (0.37) KDM4EGRIA1GRIA3PDE4DALDH1A1
SCHEMBL11270436 0.72 KDM4E (0.38) KDM4EGRIA1GRIA3PDE4DALDH1A1
SCHEMBL10059379 0.69 ATM (0.43) KDM4EGRIA1GRIA3PDE4DALDH1A1
SCHEMBL11248370 0.69 L3MBTL1 (0.67) KDM4EGRIA1GRIA3PDE4DALDH1A1
SCHEMBL1884359 0.66 GRIA1 (0.61) KDM4EGRIA1GRIA3PDE4DALDH1A1
SCHEMBL25156033 0.66 IMPDH2 (0.58) ALDH1A1MEN1KMT2ATSHR
SCHEMBL30344860 0.66 IMPDH2 (0.58) ALDH1A1MEN1KMT2ATSHR
SCHEMBL3962760 0.65 SMN1; SMN2 (0.53) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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
EP-0942905-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998025909-A1 3-AMINO-1-CYANOPHENYL-URACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed