SCHEMBL9681950

SCHEMBL9681950

Cc1nc(C#N)c[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.35
DPYD Q12882 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
KDM5A P29375 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
DAO P14920 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
SCHEMBL4339951 0.74
SCHEMBL10920709 0.72
SCHEMBL16631954 0.68
SCHEMBL8908 0.67
SCHEMBL16118350 0.67 AHR (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL12393541 0.66
SCHEMBL701812 0.66 NOS3 (0.44) EGLN2KDM4EALDH1A1
SCHEMBL3103852 0.66
SCHEMBL3108893 0.66
SCHEMBL17185678 0.66

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-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
EP-0408196-A2 Pyrazinone derivatives as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-16 EP disclosed