SCHEMBL3722790

SCHEMBL3722790

CC(=O)Nc1nc2ccc(Sc3nnc4ccc(NC5CC5)nn34)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.68
CYP3A4 P08684 9/20 0.68

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
SCHEMBL3723204 0.97 MET (0.65) METCYP3A4
SCHEMBL3723202 0.97 MET (0.65) METCYP3A4
SCHEMBL3724257 0.96 MET (0.70) METCYP3A4
SCHEMBL612337 0.95 MET (0.74) METCYP3A4
SCHEMBL3719030 0.91 MET (0.70) METCYP3A4
SCHEMBL3726032 0.88 MET (0.66) METCYP3A4
SCHEMBL3726035 0.88 MET (0.66) METCYP3A4
SCHEMBL3722129 0.87 MET (0.70) METCYP3A4
SCHEMBL3724249 0.87 MET (0.64) METCYP3A4
SCHEMBL611711 0.86 MET (0.74) 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