SCHEMBL215873

SCHEMBL215873

NC(=O)c1[nH]cnc1C(=O)Nc1nc2ccc(OCCCN3CCCC3)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.53
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
PARP1 P09874 2/20 0.44
HRH3 Q9Y5N1 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TLR9 Q9NR96 3/20 0.41
KDR P35968 1/20 0.41
LTA4H P09960 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MET P08581 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL2735389 0.86 LMNA (0.45) CHEK2LMNAMAPK1HIF1AFGFR1
SCHEMBL215871 0.84 LMNA (0.43) CHEK2LMNAMAPK1HIF1AFGFR1
SCHEMBL3327359 0.84 LMNA (0.43) CHEK2LMNAMAPK1HIF1AFGFR1
SCHEMBL217150 0.83 LMNA (0.50) CHEK2LMNAMAPK1HIF1ASMN1; SMN2
SCHEMBL215460 0.82 LMNA (0.46) CHEK2LMNAMAPK1HIF1AFGFR1
SCHEMBL214860 0.81 LMNA (0.45) CHEK2LMNAMAPK1HIF1APARP1
SCHEMBL14222350 0.80 LMNA (0.43) CHEK2LMNAMAPK1HIF1ASMN1; SMN2
SCHEMBL215366 0.80 LMNA (0.43) CHEK2LMNAMAPK1HIF1ASMN1; SMN2
SCHEMBL214297 0.79 EPHX2 (0.44) CHEK2PARP1HRH3SMN1; SMN2LTA4H
SCHEMBL14222351 0.79 ACHE (0.47) CHEK2LMNAMAPK1HIF1ASMN1; SMN2

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