SCHEMBL6989673

SCHEMBL6989673

CN1CCC(C2CCN(c3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.74
ERBB2 P04626 4/20 0.74
MAPT P10636 1/20 0.74
HPGD P15428 1/20 0.71
HTT P42858 1/20 0.71
BRAF P15056 9/20 0.51
BCL6 P41182 1/20 0.50
ERBB4 Q15303 1/20 0.47
GRM1 Q13255 1/20 0.47

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
SCHEMBL8483537 0.94 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484072 0.93 EGFR (0.77) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484315 0.91 EGFR (0.75) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487730 0.91 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998946 0.91 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL4353234 0.90 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487889 0.89 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL7001526 0.89 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990205 0.89 EGFR (0.74) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993371 0.89 EGFR (0.73) 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 6 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 claimed
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 claimed
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 claimed
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