SCHEMBL2356723

SCHEMBL2356723

CC(C)(C)OC(=O)N1CCC(Nc2ccc3ncc(-c4ccc(Cl)nc4)n3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.49
KCNH2 Q12809 3/20 0.48
FYN P06241 3/20 0.48
SYK P43405 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL12351112 0.91 PIM1 (0.47) PIM1KCNH2FYNMKNK1
SCHEMBL12699340 0.89 FYN (0.52) PIM1KCNH2FYNSYKMAPT
SCHEMBL12699555 0.88 FYN (0.63) PIM1KCNH2FYNSYKMAPT
SCHEMBL12350891 0.87 FYN (0.52) PIM1KCNH2FYNSYKMAPT
SCHEMBL12351067 0.87 PIM1 (0.53) PIM1KCNH2FYNMKNK1
SCHEMBL2358340 0.87 PIM1 (0.53) PIM1KCNH2FYNMKNK1
SCHEMBL3039012 0.86 MKNK1 (0.63) PIM1KCNH2FYNSYKMAPT
SCHEMBL2237814 0.86 PIM1 (0.47) PIM1KCNH2FYNSYKMAPT
SCHEMBL2240581 0.85 KCNH2 (0.51) PIM1KCNH2FYNSYKMAPT
SCHEMBL12699587 0.83 PIM1 (0.50) PIM1KCNH2FYNSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed