SCHEMBL6993350

SCHEMBL6993350

C[S+]([O-])c1ncc2ncnc(Nc3cc(Cl)c(N)c(Br)c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.43
ERBB2 P04626 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GRM1 Q13255 1/20 0.35
MAPT P10636 1/20 0.34
FBP1 P09467 1/20 0.33

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
SCHEMBL6996921 0.92 EGFR (0.44) EGFRERBB2HPGDHTTGRM1
SCHEMBL6991300 0.92 EGFR (0.46) EGFR
SCHEMBL6993430 0.81 EGFR (0.44) EGFRERBB2HPGDHTTGRM1
SCHEMBL6992624 0.79 EGFR (0.43) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993108 0.79 EGFR (0.56) EGFRERBB2HPGDHTTGRM1
SCHEMBL6409884 0.75 EGFR (0.62) EGFRERBB2HTT
SCHEMBL26696575 0.74 EGFR (0.48) EGFR
SCHEMBL6997920 0.73 EGFR (0.56) EGFRERBB2
SCHEMBL6990215 0.73 EGFR (0.53) EGFRERBB2
SCHEMBL6999546 0.73 EGFR (0.52) EGFRERBB2HPGDHTT

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