SCHEMBL3723627

SCHEMBL3723627

Nc1nc2ccc(Sc3nnc4ccc(NC5CCC(O)CC5)nn34)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.56
CYP3A4 P08684 5/20 0.56
JAK2 O60674 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
JAK3 P52333 1/20 0.42
PRKCQ Q04759 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PIM1 P11309 4/20 0.41
MALT1 Q9UDY8 2/20 0.41
KCNH2 Q12809 2/20 0.40
MKNK1 Q9BUB5 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
SCHEMBL3723619 1.00 MET (0.56) METCYP3A4JAK2CDK2FLT3
SCHEMBL3719696 0.95 MET (0.60) METCYP3A4PIM1MALT1KCNH2
SCHEMBL2763901 0.91 MET (0.59) METCYP3A4PIM1MALT1KCNH2
SCHEMBL611655 0.89 MET (0.64) METCYP3A4
SCHEMBL3726032 0.85 MET (0.66) METCYP3A4
SCHEMBL3726035 0.85 MET (0.66) METCYP3A4
SCHEMBL3723204 0.85 MET (0.65) METCYP3A4
SCHEMBL3723202 0.85 MET (0.65) METCYP3A4
SCHEMBL3719030 0.80 MET (0.70) METCYP3A4
SCHEMBL3722790 0.80 MET (0.68) METCYP3A4

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
EP-2393790-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089506-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed