SCHEMBL7676028

SCHEMBL7676028

NC(=O)c1c(-c2ccccc2)ccnc1N1C=CON1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
NTRK1 P04629 1/20 0.37
CDC7 O00311 5/20 0.36
GAA P10253 2/20 0.34
BCAT2 O15382 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FYN P06241 1/20 0.34
CHEK2 O96017 2/20 0.33
MAP2K1 Q02750 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
COMT P21964 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 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
SCHEMBL2280287 0.81
SCHEMBL7676034 0.78 MEN1 (0.39) PIM1NTRK1CDC7GAAMEN1
SCHEMBL2280290 0.74 PARP1 (0.42) MAP2K1CLK4DYRK1BPLK4CHEK1
SCHEMBL30949148 0.73 LRRK2 (0.45) PIM1NTRK1CDC7GAAMEN1
SCHEMBL29263048 0.73 LRRK2 (0.45) PIM1NTRK1CDC7GAAMEN1
SCHEMBL7680894 0.71 BCAT2 (0.50) BCAT2MEN1KMT2AIKBKB
SCHEMBL5335642 0.70 CHEK2 (0.40) PIM1NTRK1CDC7BCAT2FYN
SCHEMBL14917462 0.70 MKNK1 (0.49) PIM1NTRK1CDC7GAABCAT2
SCHEMBL23199045 0.68 NTRK1 (0.52) PIM1NTRK1CDC7GAABCAT2
SCHEMBL28143127 0.68 CDC7 (0.46) PIM1NTRK1CDC7GAABCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed