SCHEMBL6989314

SCHEMBL6989314

Fc1ccc(Nc2ncnc3cnc(N4CCC(N5CCCC5)CC4)nc23)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.70
ERBB2 P04626 3/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
BRAF P15056 10/20 0.49
CCR4 P51679 3/20 0.48
GRM1 Q13255 1/20 0.46

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
SCHEMBL6997252 0.99 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993907 0.92 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996431 0.92 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998946 0.92 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998708 0.92 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998926 0.92 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996016 0.91 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.91 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487730 0.90 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998310 0.90 EGFR (0.69) 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 4 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-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