SCHEMBL6995583

SCHEMBL6995583

Fc1ccc(Nc2ncnc3cnc(NC4CCC(CN5CCCC5)CC4)nc23)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.73
ERBB2 P04626 4/20 0.73
HPGD P15428 1/20 0.73
HTT P42858 1/20 0.73
MAPT P10636 1/20 0.55
CSNK2A1 P68400 1/20 0.49
ERBB4 Q15303 2/20 0.46
JAK3 P52333 1/20 0.46
BCL6 P41182 2/20 0.44
GRM1 Q13255 1/20 0.43
AXL P30530 1/20 0.42

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
SCHEMBL8317916 0.99 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995293 0.93 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8486069 0.93 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8522702 0.93 EGFR (0.80) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993837 0.93 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8486251 0.91 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.89 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318917 0.88 EGFR (0.65) EGFRERBB2HPGDHTTMAPT
SCHEMBL7001287 0.87 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989773 0.87 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