SCHEMBL6994026

SCHEMBL6994026

COc1cccc(N2CCN(c3ncc4ncnc(Nc5ccc(F)c(Cl)c5)c4n3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.62
ERBB2 P04626 4/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
BCL6 P41182 3/20 0.49
AURKA O14965 1/20 0.47
INSR P06213 1/20 0.47
FBP1 P09467 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK1 P49759 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47
BRD4 O60885 1/20 0.47
BRAF P15056 4/20 0.46
SCN9A Q15858 2/20 0.45

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
SCHEMBL6997517 0.91 EGFR (0.63) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997609 0.85 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL8486032 0.84 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.84 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998251 0.83 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.83 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996816 0.82 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL7001526 0.81 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317992 0.81 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL8483479 0.81 EGFR (0.63) 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