SCHEMBL6997372

SCHEMBL6997372

CSc1ncc2ncnc(Nc3ccc(Oc4ccccc4)c(Cl)c3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.57
ERBB2 P04626 15/20 0.57
ERBB3 P21860 15/20 0.57
ERBB4 Q15303 15/20 0.57

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
SCHEMBL7001208 0.87 EGFR (0.55) EGFRERBB2ERBB3ERBB4
SCHEMBL8316782 0.87 LMNA (0.50) EGFRERBB2
SCHEMBL6992413 0.85 KDR (0.55) EGFRERBB2ERBB4
SCHEMBL6997172 0.85 EGFR (0.50) EGFR
SCHEMBL23957483 0.83 ERBB2 (0.51) EGFRERBB2ERBB3ERBB4
SCHEMBL8318338 0.83 EGFR (0.51) EGFRERBB2
SCHEMBL7090432 0.83 EGFR (0.56) EGFRERBB2ERBB3ERBB4
SCHEMBL6997920 0.83 EGFR (0.56) EGFRERBB2ERBB3ERBB4
SCHEMBL6994181 0.80 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL8320191 0.79 EGFR (0.65) 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