SCHEMBL3801413

SCHEMBL3801413

C[C@H]1CCC[C@@H]1Oc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.82
CYP3A4 P08684 11/20 0.82
ABL1 P00519 2/20 0.49

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
SCHEMBL3801415 1.00 MET (0.82) METCYP3A4ABL1
SCHEMBL3801416 1.00 MET (0.82) METCYP3A4ABL1
SCHEMBL3808844 0.92 MET (0.97) METCYP3A4ABL1
SCHEMBL3806414 0.90 MET (1.00) METCYP3A4ABL1
SCHEMBL3809319 0.90 MET (0.95) METCYP3A4ABL1
SCHEMBL3806020 0.90 MET (0.87) METCYP3A4ABL1
SCHEMBL3807114 0.90 MET (0.89) METCYP3A4ABL1
SCHEMBL3799740 0.90 MET (0.89) METCYP3A4ABL1
SCHEMBL3806741 0.90 MET (1.00) METCYP3A4ABL1
SCHEMBL3804658 0.90 MET (1.00) METCYP3A4ABL1

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