SCHEMBL6991965

SCHEMBL6991965

C[S+]([O-])c1ncc2ncnc(Nc3cccc(CO)c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.48
SYK P43405 1/20 0.45
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40

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
SCHEMBL6997797 0.84 EGFR (0.67) EGFR
SCHEMBL6996923 0.83 EGFR (0.45) EGFR
SCHEMBL6409884 0.83 EGFR (0.62) EGFR
SCHEMBL6999413 0.81 ABCG2 (0.54) EGFRSYK
SCHEMBL6999037 0.81 EGFR (0.51) EGFRSYK
SCHEMBL6993198 0.81 EGFR (0.54) EGFR
SCHEMBL6994562 0.81 EGFR (0.50) EGFRSYKTOP2ATOP2B
SCHEMBL6996349 0.80 EGFR (0.48) EGFR
SCHEMBL6991896 0.80 ABCG2 (0.56) EGFR
SCHEMBL6990835 0.79 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 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