SCHEMBL14422668

SCHEMBL14422668

Fc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 1.00
FLT3 P36888 2/20 0.56
GSK3B P49841 2/20 0.56
JAK2 O60674 1/20 0.56
CDK2 P24941 1/20 0.56
JAK3 P52333 1/20 0.56
PRKCQ Q04759 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.56
AURKA O14965 1/20 0.54
HSD17B10 Q99714 2/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MALT1 Q9UDY8 1/20 0.49

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
SCHEMBL14422647 0.86 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422627 0.86 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422665 0.85 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422680 0.83 PIM1 (0.71) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422676 0.83 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL4783817 0.80 PIM1 (0.87) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422761 0.79 PIM1 (0.65) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422661 0.79 PIM1 (0.68) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422660 0.77 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2
SCHEMBL14422681 0.74 PIM1 (1.00) PIM1FLT3GSK3BJAK2CDK2

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