SCHEMBL2554819

SCHEMBL2554819

CN1CCC(CC(=O)Nc2nc3ccc(Sc4nnc5ccc(C6CC6)nn45)cc3s2)C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.65
CYP3A4 P08684 9/20 0.51
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL2549829 0.96 MET (0.68) METCYP3A4
SCHEMBL2554228 0.89 MET (0.68) METCYP3A4
SCHEMBL2551912 0.87 MET (0.60) METCYP3A4
SCHEMBL2553505 0.87 MET (0.65) METCYP3A4
SCHEMBL2549739 0.87 MET (0.68) METCYP3A4
SCHEMBL2552284 0.87 MET (0.66) METCYP3A4
SCHEMBL2551197 0.87 MET (0.59) METCYP3A4
SCHEMBL2570392 0.86 MET (0.63) METCYP3A4
SCHEMBL2551806 0.85 MET (0.56) METCYP3A4
SCHEMBL2548132 0.85 MET (0.53) 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
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO claimed
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed