SCHEMBL6991387

SCHEMBL6991387

COC(=O)N1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.77
ERBB2 P04626 3/20 0.77
HPGD P15428 1/20 0.77
HTT P42858 1/20 0.77
CSNK2A1 P68400 1/20 0.53
MAPT P10636 1/20 0.52
BCL6 P41182 2/20 0.51
BRAF P15056 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
GPR119 Q8TDV5 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
SCHEMBL8317606 0.95 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993850 0.92 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314697 0.91 EGFR (0.68) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994160 0.89 EGFR (0.76) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8317727 0.89 EGFR (0.74) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8488100 0.89 EGFR (0.74) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7579591 0.88 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7585168 0.88 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
Falnidamol SCHEMBL158563 0.87 EGFR (1.00) EGFRERBB2HPGDHTTCSNK2A1
Falnidamol SCHEMBL29387986 0.87 EGFR (1.00) EGFRERBB2HPGDHTTCSNK2A1

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 4 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 claimed
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