SCHEMBL6996927

SCHEMBL6996927

O=C(COC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.62
ERBB2 P04626 6/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
BRAF P15056 10/20 0.45
JAK3 P52333 1/20 0.44
ERBB4 Q15303 1/20 0.44

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
SCHEMBL6989118 0.93 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998959 0.91 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994666 0.90 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997124 0.89 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8459887 0.89 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990817 0.88 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996104 0.87 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL8483794 0.85 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996816 0.83 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.83 EGFR (0.71) EGFRERBB2MAPTHPGDHTT

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