SCHEMBL2552212

SCHEMBL2552212

Cc1ccc2nnc(Sc3ccc4nc(NC(=O)CN5CCN(C6CC6)CC5)sc4c3)n2n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.55
CYP3A4 P08684 9/20 0.51
CLK1 P49759 1/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2553079 0.90 MET (0.57) METCYP3A4
SCHEMBL2554254 0.89 MET (0.55) METCYP3A4
SCHEMBL2555063 0.88 MET (0.63) METCYP3A4CLK1HTTSMN1; SMN2
SCHEMBL2554825 0.88 MET (0.56) METCYP3A4
SCHEMBL2555643 0.87 MET (0.55) METCYP3A4
SCHEMBL2548132 0.87 MET (0.53) METCYP3A4
SCHEMBL2553188 0.87 MET (0.53) METCYP3A4
SCHEMBL2553156 0.86 MET (0.55) METCYP3A4CLK1
SCHEMBL2554384 0.84 MET (0.55) METCYP3A4
SCHEMBL2547941 0.84 MET (0.56) 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 1 patent. 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 disclosed