SCHEMBL8315979

SCHEMBL8315979

OCC1CCCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.66
ERBB2 P04626 6/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
BCL6 P41182 1/20 0.48
BRAF P15056 7/20 0.44
ERBB4 Q15303 3/20 0.43
GRM1 Q13255 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL6989931 0.92 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997195 0.90 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998738 0.88 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL7578809 0.88 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995641 0.87 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL7584323 0.87 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL7577679 0.87 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991404 0.86 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL7578218 0.86 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.85 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-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed