SCHEMBL7090432

SCHEMBL7090432

CS(=O)(=O)c1ncc2ncnc(Nc3ccc(Oc4ccccc4)c(Cl)c3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.56
ERBB2 P04626 16/20 0.56
ERBB3 P21860 13/20 0.56
ERBB4 Q15303 13/20 0.56

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
SCHEMBL6989835 0.88 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL6990938 0.86 EGFR (0.54) EGFRERBB2ERBB4
SCHEMBL6996883 0.85 EGFR (0.51) EGFR
SCHEMBL8317145 0.84 EGFR (0.49) EGFRERBB2
SCHEMBL6997372 0.83 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL6997920 0.81 EGFR (0.56) EGFRERBB2ERBB3ERBB4
SCHEMBL6990190 0.81 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL6417047 0.80 EGFR (0.66) EGFRERBB2
SCHEMBL8320237 0.79 EGFR (0.55) EGFR
SCHEMBL8315330 0.79 EGFR (0.57) EGFRERBB2

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 3 patents. 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
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed