Sugi Predict

Sugi Predict / Compounds / SCHEMBL2575249

SCHEMBL2575249

SCHEMBL2575249

O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(C5CC5)nn34)cc2s1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.80
▸ CYP3A4 P08684 11/20 0.80
▸ ABL1 P00519 1/20 0.52

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
SCHEMBL2801184 0.89 MET (0.80) METCYP3A4ABL1
SCHEMBL3804115 0.89 MET (1.00) METCYP3A4ABL1
SCHEMBL611705 0.89 MET (1.00) METCYP3A4ABL1
SCHEMBL2801802 0.88 MET (0.79) METCYP3A4ABL1
SCHEMBL2576731 0.88 MET (0.65) METCYP3A4
SCHEMBL3809319 0.88 MET (0.95) METCYP3A4ABL1
SCHEMBL2802346 0.87 MET (0.87) METCYP3A4ABL1
SCHEMBL2763415 0.87 MET (0.82) METCYP3A4ABL1
SCHEMBL3805631 0.87 MET (1.00) METCYP3A4ABL1
SCHEMBL3808844 0.87 MET (0.97) METCYP3A4ABL1

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