SCHEMBL2552455

SCHEMBL2552455

O=C(Nc1nc2cc(F)c(Sc3nnc4ccc(CC5CC5)nn34)cc2s1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.58
ABL1 P00519 2/20 0.41
CYP3A4 P08684 4/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RIPK3 Q9Y572 1/20 0.39

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
SCHEMBL2553103 0.87 MET (0.69) METCYP3A4CASP3SENP8SENP7
SCHEMBL2554270 0.86 MET (0.63) METABL1CYP3A4CASP3SENP8
SCHEMBL2551917 0.83 MET (0.66) METCYP3A4NPC1
SCHEMBL2576776 0.77 MET (0.54) METCYP3A4
SCHEMBL2555041 0.76 MET (0.58) METCYP3A4
SCHEMBL3721556 0.75 MET (0.69) METCYP3A4KDM4E
SCHEMBL2763443 0.74 MET (1.00) METABL1CYP3A4
SCHEMBL2550322 0.73 MET (0.57) METCYP3A4
SCHEMBL2552274 0.73 MET (0.49) METCYP3A4KDM4E
SCHEMBL2549710 0.73 MET (0.73) METABL1CYP3A4CASP3SENP8

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