SCHEMBL3726035

SCHEMBL3726035

O=C(Nc1nc2ccc(Sc3nnc4ccc(NC5CCC(O)CC5)nn34)cc2s1)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.66
CYP3A4 P08684 9/20 0.65
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL3726032 1.00 MET (0.66) METCYP3A4CASP3SENP8SENP7
SCHEMBL3719030 0.97 MET (0.70) METCYP3A4CASP3SENP8SENP7
SCHEMBL3722129 0.93 MET (0.70) METCYP3A4CASP3SENP8SENP7
SCHEMBL3723202 0.92 MET (0.65) METCYP3A4
SCHEMBL611711 0.92 MET (0.74) METCYP3A4
SCHEMBL3723204 0.92 MET (0.65) METCYP3A4
SCHEMBL3722790 0.88 MET (0.68) METCYP3A4
SCHEMBL3803442 0.87 MET (0.65) METCYP3A4CASP3SENP8SENP7
SCHEMBL3723627 0.85 MET (0.56) METCYP3A4
SCHEMBL3723619 0.85 MET (0.56) 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