SCHEMBL2548814

SCHEMBL2548814

CCN1CCN(CC(=O)Nc2nc3ccc(Sc4nnc5ccc(C6CC6)nn45)cc3s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.58
CLK1 P49759 1/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 7/20 0.51

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
SCHEMBL2553156 0.95 MET (0.55) METCLK1KDM4EALDH1A1CYP3A4
SCHEMBL2549722 0.93 MET (0.59) METKDM4ECYP3A4
SCHEMBL2552338 0.92 MET (0.55) METCLK1CYP3A4
SCHEMBL2547795 0.92 MET (0.55) METCLK1CYP3A4
SCHEMBL2552341 0.92 MET (0.60) METCYP3A4
SCHEMBL2553079 0.92 MET (0.57) METCYP3A4
SCHEMBL2553780 0.92 MET (0.57) METCYP3A4
SCHEMBL2572850 0.92 MET (0.60) METCYP3A4
SCHEMBL2551322 0.92 MET (0.58) METCYP3A4
SCHEMBL2552962 0.91 MET (0.53) METCLK1CYP3A4

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