SCHEMBL6997517

SCHEMBL6997517

COc1ccc(N2CCN(c3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.63
ERBB2 P04626 4/20 0.63
MAPT P10636 3/20 0.63
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
BCL6 P41182 3/20 0.50
AURKA O14965 1/20 0.48
INSR P06213 1/20 0.48
FBP1 P09467 1/20 0.48
PDGFRB P09619 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
CLK1 P49759 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48
AURKB Q96GD4 1/20 0.48
BRAF P15056 4/20 0.47
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6994026 0.91 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486032 0.87 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.85 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997609 0.84 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317992 0.84 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998251 0.84 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.84 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996816 0.84 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL7001526 0.83 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8320166 0.82 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