SCHEMBL3724249

SCHEMBL3724249

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

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.64
CYP3A4 P08684 9/20 0.64

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
SCHEMBL612830 0.96 MET (0.69) METCYP3A4
SCHEMBL3722790 0.87 MET (0.68) METCYP3A4
SCHEMBL3719030 0.85 MET (0.70) METCYP3A4
SCHEMBL3719705 0.84 MET (0.66) METCYP3A4
SCHEMBL3723202 0.84 MET (0.65) METCYP3A4
SCHEMBL3723204 0.84 MET (0.65) METCYP3A4
SCHEMBL3406870 0.83 MET (0.64) METCYP3A4
SCHEMBL612424 0.83 MET (0.70) METCYP3A4
SCHEMBL3724257 0.83 MET (0.70) METCYP3A4
SCHEMBL612337 0.83 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