SCHEMBL2555063

SCHEMBL2555063

Cc1ccc2nnc(Sc3ccc4nc(NC(=O)CN5CCOCC5)sc4c3)n2n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.63
CYP3A4 P08684 10/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CLK1 P49759 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL2552212 0.88 MET (0.55) METCYP3A4HTTSMN1; SMN2CLK1
SCHEMBL2576731 0.88 MET (0.65) METCYP3A4HTTSMN1; SMN2CLK1
SCHEMBL2554477 0.85 MET (0.62) METCYP3A4HTTSMN1; SMN2CLK1
SCHEMBL2554992 0.84 MET (0.60) METCYP3A4HTTSMN1; SMN2CLK1
SCHEMBL2578575 0.83 MET (0.59) METCYP3A4HTTCLK1ALDH1A1
SCHEMBL2549710 0.81 MET (0.73) METCYP3A4KMT2AMEN1
SCHEMBL2764245 0.81 MET (0.59) METCYP3A4
SCHEMBL2549722 0.81 MET (0.59) METCYP3A4
SCHEMBL2551583 0.81 ALDH1A1 (0.75) METCYP3A4HTTSMN1; SMN2CLK1
SCHEMBL2548814 0.80 MET (0.58) METCYP3A4CLK1ALDH1A1

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