SCHEMBL7094969

SCHEMBL7094969

NCCC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.77
ERBB2 P04626 3/20 0.77
MAPT P10636 1/20 0.77
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
GRM1 Q13255 1/20 0.48
BRAF P15056 11/20 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
SCHEMBL6991492 0.94 EGFR (0.78) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484072 0.91 EGFR (0.77) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488112 0.91 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989566 0.90 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484315 0.90 EGFR (0.75) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994734 0.89 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486711 0.89 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317479 0.89 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991298 0.89 EGFR (0.79) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317370 0.88 EGFR (0.73) 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