SCHEMBL3726023

SCHEMBL3726023

O=C(Nc1nc2ccc(Sc3nnc4ccc(Oc5cccc(CN6CCOCC6)c5)nn34)cc2s1)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.68
CYP3A4 P08684 11/20 0.68
JAK1 P23458 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
SCHEMBL3726507 0.86 MET (0.67) METCYP3A4
SCHEMBL3727536 0.85 MET (0.53) METCYP3A4JAK1
SCHEMBL3727539 0.85 MET (0.53) METCYP3A4JAK1
SCHEMBL3729185 0.85 MET (0.59) METCYP3A4
SCHEMBL3723638 0.85 MET (0.69) METCYP3A4
SCHEMBL3723643 0.84 MET (0.63) METCYP3A4
SCHEMBL3723536 0.82 MET (0.70) METCYP3A4
SCHEMBL3800032 0.81 MET (1.00) METCYP3A4
SCHEMBL3723626 0.81 MET (0.76) METCYP3A4
SCHEMBL3729221 0.81 MET (0.60) 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-2393791-A1 DERIVATIVES OF 6-(6-O-SUBSTITUTED-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-2010089507-A1 DERIVATIVES OF 6-(6-O-SUBSTITUTED-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