SCHEMBL6998738

SCHEMBL6998738

CC(=O)NCC1CCCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.62
ERBB2 P04626 6/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
BRAF P15056 10/20 0.46
ERBB4 Q15303 3/20 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
SCHEMBL6999140 0.91 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL7578809 0.89 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315979 0.88 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL7577679 0.88 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991404 0.88 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997195 0.88 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL7578211 0.88 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315138 0.87 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989931 0.86 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL7584323 0.85 EGFR (0.67) 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