SCHEMBL2552274

SCHEMBL2552274

CCN1CCN(CC(=O)Nc2nc3cc(F)c(Sc4nnc5ccc(C6CC6)nn45)cc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.49
CLK1 P49759 2/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2550322 0.91 MET (0.57) METCLK1ALDH1A1CYP3A4MAPT
SCHEMBL2548814 0.88 MET (0.58) METCLK1ALDH1A1KDM4ECYP3A4
SCHEMBL2576776 0.87 MET (0.54) METCYP3A4
SCHEMBL3720147 0.87 MET (0.54) METCLK1ALDH1A1KDM4ECYP3A4
SCHEMBL3721407 0.87 MET (0.53) METCLK1ALDH1A1KDM4ECYP3A4
SCHEMBL2554270 0.85 MET (0.63) METKDM4ECYP3A4
SCHEMBL2553156 0.84 MET (0.55) METCLK1ALDH1A1KDM4ECYP3A4
SCHEMBL2552976 0.83 MET (0.46) METCYP3A4
SCHEMBL3721710 0.83 MET (0.51) METCLK1ALDH1A1KDM4ECYP3A4
SCHEMBL2572850 0.81 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 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