SCHEMBL11212136

SCHEMBL11212136

Nc1nccc(Oc2ccnc(N)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.57
FEN1 P39748 8/20 0.46
ALOX5AP P20292 7/20 0.46
HSP90AA1 P07900 3/20 0.43
HRH4 Q9H3N8 1/20 0.43
AURKA O14965 1/20 0.43
PRKACA P17612 1/20 0.43
ADORA2A P29274 1/20 0.43
GRM4 Q14833 2/20 0.39
BCL6 P41182 1/20 0.39
ROCK1 Q13464 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL31721266 0.85 NUDT1 (0.49) NUDT1FEN1ALOX5APHSP90AA1HRH4
SCHEMBL12813082 0.83 POLB (0.54) NUDT1FEN1ALOX5APHSP90AA1AURKA
SCHEMBL1892428 0.83 MEN1 (0.50) NUDT1FEN1ALOX5APKCNH2SCN9A
SCHEMBL18629754 0.82 FEN1 (0.50) NUDT1FEN1ALOX5APGRM4KDM4E
SCHEMBL30790323 0.81
SCHEMBL3121960 0.81
SCHEMBL359919 0.81
SCHEMBL31403749 0.80 MAP4K4 (0.51) NUDT1ROCK1ALDH1A1
SCHEMBL30048005 0.80 POLB (0.51) NUDT1FEN1ALOX5APHSP90AA1AURKA
SCHEMBL28189689 0.79 NUDT1 (0.61) NUDT1FEN1ALOX5APHSP90AA1HRH4

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-0055692-A1 Novel pyrimidinyl ethers, their use as herbicides, herbicidal compositions comprising said pyrimidinyl ethers and processes for the preparation thereof SANDOZ AG (CH) 1982-07-07 EP claimed
US-4400201-A 2-AMINO-4-CYCLOPROPYLMETHOXY-SUBSTITUTED SANDOZ LTD. (CH) 1983-08-23 US disclosed
EP-0055692-A1 Novel pyrimidinyl ethers, their use as herbicides, herbicidal compositions comprising said pyrimidinyl ethers and processes for the preparation thereof SANDOZ AG (CH) 1982-07-07 EP disclosed