SCHEMBL6987868

SCHEMBL6987868

CC1CN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CCC1N

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.67
ERBB2 P04626 4/20 0.67
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
GRM1 Q13255 1/20 0.46
BRAF P15056 6/20 0.46
ERBB4 Q15303 1/20 0.43
BCL6 P41182 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL6987863 1.00 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998757 1.00 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997654 0.89 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317479 0.87 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998075 0.86 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995641 0.86 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317849 0.85 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317493 0.84 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988633 0.84 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989673 0.84 EGFR (0.74) 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