SCHEMBL3722129

SCHEMBL3722129

O=C(Nc1nc2ccc(Sc3nnc4ccc(NC5CCCCC5)nn34)cc2s1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.70
CYP3A4 P08684 7/20 0.70
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CLK1 P49759 1/20 0.45

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
SCHEMBL3719030 0.96 MET (0.70) METCYP3A4NPC1RAB9AMEN1
SCHEMBL3726035 0.93 MET (0.66) METCYP3A4CASP3SENP8SENP7
SCHEMBL3726032 0.93 MET (0.66) METCYP3A4CASP3SENP8SENP7
SCHEMBL611711 0.93 MET (0.74) METCYP3A4
SCHEMBL3724257 0.92 MET (0.70) METCYP3A4LMNAALDH1A1
SCHEMBL3803442 0.88 MET (0.65) METCYP3A4CASP3SENP8SENP7
SCHEMBL3722790 0.87 MET (0.68) METCYP3A4
SCHEMBL3805571 0.85 MET (0.90) METCYP3A4
SCHEMBL2549710 0.84 MET (0.73) METCYP3A4NPC1RAB9AMEN1
SCHEMBL2551917 0.84 MET (0.66) METCYP3A4MAOAMAOBNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393790-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP claimed
WO-2010089506-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 WO claimed
EP-2393790-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-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-2010089506-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-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