SCHEMBL6987877

SCHEMBL6987877

Fc1ccc(Nc2ncnc3cnc(NCCC4CCNCC4)nc23)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.59
ERBB2 P04626 4/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.53
ERBB4 Q15303 1/20 0.47
GRM1 Q13255 1/20 0.45
CSNK2A1 P68400 2/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41

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
SCHEMBL6990926 0.91 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993117 0.90 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999445 0.84 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994346 0.84 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314543 0.84 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997407 0.84 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL7581524 0.84 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995186 0.83 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993122 0.83 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL8488112 0.83 EGFR (0.73) EGFRERBB2HPGDHTTMAPT

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