SCHEMBL8562290

SCHEMBL8562290

COC(=O)N1CCN(N(CC=O)c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.52
ERBB2 P04626 10/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
ERBB4 Q15303 4/20 0.46
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL8486998 0.85 EGFR (0.54) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487002 0.81 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL8483717 0.80 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991387 0.80 EGFR (0.77) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315593 0.80 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL8488608 0.79 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319916 0.78 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8485050 0.78 EGFR (0.53) EGFRERBB2MAPTHPGDHTT
SCHEMBL8484637 0.78 EGFR (0.61) EGFRERBB2MAPTHPGDHTT
SCHEMBL8522095 0.78 EGFR (0.57) EGFRERBB2MAPTHPGDHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997032882-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