SCHEMBL2555024

SCHEMBL2555024

O=C(Nc1nc2ccc(Sc3nnc4ccc(C5CC5)nn34)cc2s1)C1CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.74
CYP3A4 P08684 8/20 0.52
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 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
SCHEMBL2552284 0.93 MET (0.66) METCYP3A4
SCHEMBL2550247 0.93 MET (0.64) METCYP3A4
SCHEMBL2551912 0.89 MET (0.60) METCYP3A4
SCHEMBL2570392 0.89 MET (0.63) METCYP3A4
SCHEMBL2549710 0.88 MET (0.73) METCYP3A4CASP3SENP8SENP7
SCHEMBL2554270 0.86 MET (0.63) METCYP3A4CASP3SENP8SENP7
SCHEMBL3719030 0.86 MET (0.70) METCYP3A4CASP3SENP8SENP7
SCHEMBL2800569 0.86 MET (0.70) METCYP3A4CASP3SENP8SENP7
SCHEMBL2549722 0.86 MET (0.59) METCYP3A4
SCHEMBL2763443 0.85 MET (1.00) 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