SCHEMBL6999466

SCHEMBL6999466

Nc1c(Br)cc(Nc2ncnc3cnc(N4CCC(N)CC4)nc23)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
ERBB2 P04626 1/20 0.47
MAPT P10636 1/20 0.47
BRAF P15056 18/20 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
SCHEMBL8317375 0.80 EGFR (0.62) EGFRERBB2MAPTBRAF
SCHEMBL8317479 0.78 EGFR (0.73) EGFRERBB2MAPTBRAF
SCHEMBL23957526 0.78 EGFR (0.52) EGFRERBB2MAPTBRAF
SCHEMBL6988633 0.75 EGFR (0.69) EGFRERBB2MAPTBRAF
SCHEMBL6997044 0.74 EGFR (0.51) EGFRERBB2MAPTBRAF
SCHEMBL6993907 0.74 EGFR (0.67) EGFRERBB2MAPTBRAF
SCHEMBL6997654 0.73 EGFR (0.69) EGFRERBB2MAPTBRAF
SCHEMBL6988137 0.72 BRAF (0.53) EGFRERBB2BRAF
SCHEMBL7001817 0.72 BRAF (0.53) EGFRERBB2BRAF
SCHEMBL6995684 0.72 EGFR (0.48) EGFR

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