SCHEMBL3719696

SCHEMBL3719696

Nc1nc2ccc(Sc3nnc4ccc(NC5CC5)nn34)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.60
CYP3A4 P08684 6/20 0.57
PIM1 P11309 3/20 0.44
MALT1 Q9UDY8 4/20 0.43
KCNH2 Q12809 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3723627 0.95 MET (0.56) METCYP3A4PIM1MALT1KCNH2
SCHEMBL3723619 0.95 MET (0.56) METCYP3A4PIM1MALT1KCNH2
SCHEMBL2763901 0.95 MET (0.59) METCYP3A4PIM1MALT1KCNH2
SCHEMBL611655 0.93 MET (0.64) METCYP3A4
SCHEMBL2763908 0.83 MET (0.61) METCYP3A4KCNH2
SCHEMBL2553874 0.82 MET (0.66) METCYP3A4KCNH2
SCHEMBL3719030 0.82 MET (0.70) METCYP3A4
SCHEMBL3722790 0.82 MET (0.68) METCYP3A4
SCHEMBL13030053 0.80 MET (0.67) METCYP3A4KCNH2CYP2C19
SCHEMBL3726032 0.80 MET (0.66) 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 4 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 claimed
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 claimed
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