SCHEMBL2555041

SCHEMBL2555041

O=C(O)Nc1nc2ccc(Sc3nnc4ccc(CC5CCCCC5)nn34)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.58
CYP3A4 P08684 9/20 0.55

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
SCHEMBL2551917 0.93 MET (0.66) METCYP3A4
SCHEMBL2553103 0.89 MET (0.69) METCYP3A4
SCHEMBL2554477 0.87 MET (0.62) METCYP3A4
SCHEMBL2553188 0.86 MET (0.53) METCYP3A4
SCHEMBL2571308 0.85 MET (0.78) METCYP3A4
SCHEMBL3719721 0.83 MET (0.72) METCYP3A4
SCHEMBL2550247 0.82 MET (0.64) METCYP3A4
SCHEMBL3729175 0.82 MET (0.71) METCYP3A4
SCHEMBL2549710 0.78 MET (0.73) METCYP3A4
SCHEMBL2763492 0.78 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 1 patent. 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 disclosed