SCHEMBL14422795

SCHEMBL14422795

c1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.64
MALT1 Q9UDY8 9/20 0.50
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JAK2 O60674 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
JAK3 P52333 1/20 0.43
PRKCQ Q04759 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14422761 0.87 PIM1 (0.65) PIM1MALT1JAK2CDK2FLT3
SCHEMBL14422759 0.85 PIM1 (0.65) PIM1MALT1JAK2CDK2FLT3
SCHEMBL14422765 0.84 PIM1 (0.67) PIM1MALT1JAK2CDK2FLT3
SCHEMBL14422752 0.84 PIM1 (0.48) PIM1MALT1CDK2FLT3CYP3A4
SCHEMBL14422769 0.82 PIM1 (0.67) PIM1MALT1MAPTJAK2CDK2
SCHEMBL14422755 0.82 PIM1 (0.54) PIM1MALT1JAK2CDK2FLT3
SCHEMBL14422768 0.82 MALT1 (0.72) PIM1MALT1JAK2CDK2FLT3
SCHEMBL14422818 0.82 PIM1 (0.58) PIM1MALT1POLBMAPTHSD17B10
SCHEMBL14422763 0.82 PIM1 (0.55) PIM1MALT1JAK2CDK2FLT3
SCHEMBL14422770 0.79 PIM1 (0.53) PIM1MALT1POLBMAPTHSD17B10

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-7268136-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-11 US disclosed