SCHEMBL19288509

SCHEMBL19288509

CCN(CC)S(=O)(=O)c1ccsc1CNC1=NCC(Cl)C(Nc2ccc(N3CCP(C)(=O)CC3)cc2OC)=N1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.32
▸ IGF1R P08069 2/20 0.32
▸ INSR P06213 1/20 0.32
▸ ZAP70 P43403 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ TTK P33981 4/20 0.31

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
SCHEMBL11900968 0.82 ALK (0.51) ALKIGF1RINSRZAP70EGFR
SCHEMBL11900973 0.76 ALK (0.51) ALKIGF1RINSRZAP70EGFR
SCHEMBL19288667 0.71 ALK (0.37) ALKIGF1RINSRZAP70JAK2
SCHEMBL11900970 0.70 ALK (0.51) ALKIGF1RINSRZAP70EGFR
SCHEMBL11901068 0.61 ALK (0.57) ALKIGF1RINSRZAP70EGFR
SCHEMBL13395666 0.60 ALK (0.60) ALKIGF1RINSRZAP70PTK2
SCHEMBL1493535 0.60 ALK (0.60) ALKINSR
SCHEMBL13395669 0.59 ALK (0.77) ALKIGF1RINSRZAP70JAK2
SCHEMBL13395660 0.58 ALK (0.56) ALKIGF1RINSRZAP70PTK2
SCHEMBL11916458 0.56 ALK (0.80) ALKIGF1RINSRZAP70JAK2

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
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP disclosed
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