SCHEMBL2237814

SCHEMBL2237814

CSc1ncc(-c2cnc3ccc(NC4CCN(C(=O)OC(C)(C)C)CC4)nn23)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.47
KCNH2 Q12809 2/20 0.46
FYN P06241 6/20 0.46
MKNK1 Q9BUB5 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SYK P43405 1/20 0.45
ALDH1A1 P00352 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL12350891 0.89 FYN (0.52) PIM1KCNH2FYNMKNK1POLB
SCHEMBL2240581 0.87 KCNH2 (0.51) PIM1KCNH2FYNMKNK1POLB
SCHEMBL2356754 0.86 PIM1 (0.49) PIM1KCNH2FYNMKNK1
SCHEMBL12351021 0.86 PIM1 (0.49) PIM1KCNH2FYNMKNK1
SCHEMBL3039012 0.86 MKNK1 (0.63) PIM1KCNH2FYNMKNK1POLB
SCHEMBL12699555 0.86 FYN (0.63) PIM1KCNH2FYNMKNK1POLB
SCHEMBL2356723 0.86 PIM1 (0.49) PIM1KCNH2FYNMKNK1POLB
SCHEMBL12699340 0.86 FYN (0.52) PIM1KCNH2FYNMKNK1POLB
SCHEMBL12351150 0.84 PIM1 (0.49) PIM1KCNH2FYNPOLBMAPT
SCHEMBL12699568 0.84 USP30 (0.49) PIM1KCNH2FYNMKNK1

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