SCHEMBL6994593

SCHEMBL6994593

CS(=O)(=O)c1ncc2ncnc(Nc3cccc(C#N)c3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.54
EGFR P00533 13/20 0.51
TP53 P04637 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
F9 P00740 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL6995062 0.89 EGFR (0.51) ABCG2EGFRSYK
SCHEMBL6993872 0.84 EGFR (0.69) EGFR
SCHEMBL8320084 0.84 EGFR (0.70) EGFR
SCHEMBL8315330 0.84 EGFR (0.57) EGFRTP53
SCHEMBL8314880 0.84 EGFR (0.53) ABCG2EGFR
SCHEMBL6417047 0.83 EGFR (0.66) ABCG2EGFRDYRK1ADYRK1B
SCHEMBL8314779 0.82 EGFR (0.45) EGFR
SCHEMBL8320237 0.82 EGFR (0.55) ABCG2EGFRDYRK1ADYRK1B
SCHEMBL8315829 0.82 EGFR (0.51) EGFR
SCHEMBL6990835 0.81 EGFR (0.50) EGFRSYK

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-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed