SCHEMBL18567211

SCHEMBL18567211

O=C(NC1=C/C=C\C=C/C=C\1)c1csc2cnc(Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.54
IRAK4 Q9NWZ3 13/20 0.38
IRAK1 P51617 1/20 0.38
NFKB1 P19838 3/20 0.36
JUN P05412 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
ATF1 P18846 1/20 0.34

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
SCHEMBL15096933 0.77 SYK (0.60) SYKIRAK4IRAK1NFKB1JUN
SCHEMBL15093593 0.75 SYK (0.61) SYKIRAK4IRAK1NFKB1JUN
SCHEMBL15093626 0.74 SYK (0.61) SYKIRAK4NFKB1NFKB2RELA
SCHEMBL15093395 0.73 SYK (0.52) SYKIRAK4IRAK1NFKB1JUN
SCHEMBL358315 0.73 SYK (0.52) SYKIRAK4IRAK1NFKB1JUN
SCHEMBL15093623 0.72 SYK (0.58) SYKIRAK4NFKB1NFKB2RELA
SCHEMBL15093609 0.71 SYK (0.61) SYK
SCHEMBL359245 0.71 SYK (0.60) SYK
SCHEMBL15093707 0.70 SYK (0.64) SYKIRAK4IRAK1NFKB1JUN
SCHEMBL359875 0.70 ALDH1A1 (0.54) SYKIRAK4IRAK1NFKB1ATF1

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-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed