SCHEMBL3720653

SCHEMBL3720653

C[C@@H]1CCC[C@H]1Oc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)sc4c3)n2n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.62
CYP3A4 P08684 9/20 0.56
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3720654 1.00 MET (0.62) METCYP3A4NPC1HSP90AA1RAB9A
SCHEMBL3720651 1.00 MET (0.62) METCYP3A4NPC1HSP90AA1RAB9A
SCHEMBL3725108 0.88 MET (0.70) METCYP3A4NPC1RAB9A
SCHEMBL3719036 0.88 MET (0.63) METCYP3A4
SCHEMBL3723223 0.88 MET (0.64) METCYP3A4NPC1HSP90AA1RAB9A
SCHEMBL3721442 0.87 MET (0.70) METCYP3A4NPC1RAB9A
SCHEMBL2800569 0.87 MET (0.70) METCYP3A4NPC1HSP90AA1RAB9A
SCHEMBL3723510 0.86 MET (0.65) METCYP3A4
SCHEMBL3726531 0.85 MET (0.65) METCYP3A4
SCHEMBL3723536 0.85 MET (0.70) 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