SCHEMBL7676034

SCHEMBL7676034

NC(=O)c1c(N2C=CON2)ccnc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.37
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.37
CDC7 O00311 5/20 0.36
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BTK Q06187 4/20 0.33
MAP2K1 Q02750 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ADORA2A P29274 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL27514880 0.71 MEN1 (0.46) MEN1GAAKMT2APOLBNTRK1
SCHEMBL18210515 0.71 MYC (0.36) PIM1KDM4EALDH1A1ADORA2A
SCHEMBL7680902 0.71 BCAT2 (0.40)
SCHEMBL5335642 0.70 CHEK2 (0.40) NTRK1PIM1CDC7KDRALDH1A1
SCHEMBL14917460 0.70 MEN1 (0.47) MEN1GAAKMT2APOLBNTRK1
SCHEMBL27907482 0.68 MEN1 (0.54) MEN1GAAKMT2APOLBNTRK1
SCHEMBL22396471 0.67 MYC (0.50) GAAKMT2APOLBKDM4EALDH1A1
SCHEMBL1533663 0.66 MEN1 (0.48) MEN1GAAKMT2APOLBNTRK1
SCHEMBL3806342 0.66 NR1H2 (0.36) GAAPOLBKDM4EALDH1A1

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