SCHEMBL6990775

SCHEMBL6990775

COC(=O)[C@H]1CC[C@H](Nc2ncc3ncnc(Nc4cc(Cl)c(N)c(Cl)c4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
ERBB2 P04626 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
BRAF P15056 8/20 0.46
CSNK2A1 P68400 5/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
BTK Q06187 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
BCL6 P41182 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL6990783 1.00 EGFR (0.53) EGFRERBB2HPGDHTTBRAF
SCHEMBL6990159 0.90 EGFR (0.53) EGFRERBB2HPGDHTTBRAF
SCHEMBL6990170 0.90 EGFR (0.53) EGFRERBB2HPGDHTTBRAF
SCHEMBL6999332 0.87 EGFR (0.71) EGFRERBB2HPGDHTTBRAF
SCHEMBL6999338 0.87 EGFR (0.71) EGFRERBB2HPGDHTTBRAF
SCHEMBL6987985 0.86 EGFR (0.53) EGFRERBB2HPGDHTTBRAF
SCHEMBL6987987 0.86 EGFR (0.53) EGFRERBB2HPGDHTTBRAF
SCHEMBL6993881 0.86 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL6993890 0.86 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL14040852 0.85 EGFR (0.53) EGFRERBB2HPGDHTTBRAF

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