SCHEMBL2554992

SCHEMBL2554992

O=C(CN1CCC(CN2CCOCC2)CC1)Nc1nc2ccc(Sc3nnc4ccc(C5CC5)nn34)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.60
CYP3A4 P08684 10/20 0.57
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
CLK1 P49759 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2576731 0.95 MET (0.65) METCYP3A4HTTALDH1A1MAPT
SCHEMBL2552341 0.93 MET (0.60) METCYP3A4
SCHEMBL2578575 0.91 MET (0.59) METCYP3A4HTTALDH1A1MAPT
SCHEMBL2572850 0.90 MET (0.60) METCYP3A4
SCHEMBL2547941 0.90 MET (0.56) METCYP3A4
SCHEMBL2554228 0.89 MET (0.68) METCYP3A4
SCHEMBL2551322 0.88 MET (0.58) METCYP3A4
SCHEMBL2549722 0.88 MET (0.59) METCYP3A4
SCHEMBL2554825 0.86 MET (0.56) METCYP3A4
SCHEMBL2576078 0.86 MET (0.59) 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