SCHEMBL217150

SCHEMBL217150

CN(C)CCOc1ccc2nc(NC(=O)c3nc[nH]c3C(N)=O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CHEK2 O96017 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PKN2 Q16513 1/20 0.42
PIM3 Q86V86 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
AURKB Q96GD4 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL213580 0.86 LMNA (0.47) LMNAMAPK1HIF1ACHEK2SMN1; SMN2
SCHEMBL215715 0.84 LMNA (0.43) LMNAMAPK1HIF1ACHEK2SMN1; SMN2
SCHEMBL215873 0.83 CHEK2 (0.53) LMNAMAPK1HIF1ACHEK2SMN1; SMN2
SCHEMBL2735426 0.77 ALDH1A1 (0.41) LMNAMAPK1HIF1ASMN1; SMN2RAF1
SCHEMBL217151 0.76 CHEK2 (0.57) LMNAMAPK1HIF1ACHEK2DYRK3
SCHEMBL213579 0.75 LMNA (0.43) LMNAMAPK1HIF1ACHEK2SMN1; SMN2
SCHEMBL216400 0.75 LMNA (0.46) LMNAMAPK1HIF1ASMN1; SMN2NPSR1
SCHEMBL2735334 0.75 ALDH1A1 (0.43) LMNAMAPK1HIF1ASMN1; SMN2NPSR1
SCHEMBL215714 0.74 LMNA (0.42) LMNAMAPK1HIF1ACHEK2SMN1; SMN2
SCHEMBL2735333 0.73 ALDH1A1 (0.42) LMNAMAPK1HIF1ASMN1; SMN2NPSR1

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed