SCHEMBL2554477

SCHEMBL2554477

O=C(CN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(CC5CCCCC5)nn34)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.62
CYP3A4 P08684 11/20 0.62
HTT P42858 2/20 0.53
CLK1 P49759 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 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
SCHEMBL2553188 0.91 MET (0.53) METCYP3A4
SCHEMBL2571308 0.89 MET (0.78) METCYP3A4
SCHEMBL2555041 0.87 MET (0.58) METCYP3A4
SCHEMBL2576731 0.86 MET (0.65) METCYP3A4HTTCLK1ALDH1A1
SCHEMBL2551917 0.86 MET (0.66) METCYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL2555063 0.85 MET (0.63) METCYP3A4HTTCLK1ALDH1A1
SCHEMBL2554992 0.83 MET (0.60) METCYP3A4HTTCLK1ALDH1A1
SCHEMBL2553103 0.82 MET (0.69) METCYP3A4
SCHEMBL2578575 0.81 MET (0.59) METCYP3A4HTTCLK1ALDH1A1
SCHEMBL2549722 0.81 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 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