SCHEMBL1992513

SCHEMBL1992513

CNC(=O)c1cn[nH]c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
CDK2 P24941 2/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
PIM1 P11309 2/20 0.35
GSK3B P49841 2/20 0.35
ROCK2 O75116 1/20 0.35
NUDT1 P36639 1/20 0.35
TP53 P04637 1/20 0.34
PLK1 P53350 1/20 0.34
KMT2A Q03164 2/20 0.34
YTHDC1 Q96MU7 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL18184521 0.78 TSHR (0.42) GAATSHRMAPTPIM1GSK3B
SCHEMBL17397804 0.77 TSHR (0.41) GAATSHRMAPTTHRBPIM1
SCHEMBL29438437 0.77 TSHR (0.62) GAATSHRCDK2PIM1GSK3B
SCHEMBL353369 0.77 DDR1 (0.47) GAATSHRROCK2ALDH1A1METAP2
SCHEMBL31043688 0.75
SCHEMBL20553499 0.75
SCHEMBL31421937 0.74 TSHR (0.46) GAATSHRMAPTTHRBTP53
SCHEMBL1685609 0.73 TSHR (0.37) TSHRROCK2KMT2AMEN1ALDH1A1
SCHEMBL29949958 0.72 ROCK2 (0.49) PIM1GSK3BROCK2CLK4GRK2
SCHEMBL24433138 0.67 PLK4 (0.64) GAATSHRMAPTTHRBPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192251-A1 BIOINSECTICIDE Kannar Earth Science, Ltd. (US) 2023-06-14 EP disclosed
WO-2022032082-A1 BIOINSECTICIDE KANNAR EARTH SCIENCE, LTD. (US) 2022-02-10 WO disclosed
WO-2011069894-A1 TRIAZOLE COMPOUNDS, USE THEREOF, AND AGENTS CONTAINING SAME BASF SE (DE) 2011-06-16 WO disclosed
WO-2011069916-A1 TRIAZOLE COMPOUNDS, USE THEREOF AS A FUNGICIDE, AND AGENTS COMPRISING SAME BASF SE (DE) 2011-06-16 WO disclosed
WO-2011069912-A1 TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2011-06-16 WO disclosed