SCHEMBL6999532

SCHEMBL6999532

CN(c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.48
ERBB2 P04626 9/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.46
CSNK2A1 P68400 1/20 0.41
ERBB4 Q15303 2/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
SYK P43405 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL7582468 0.86 EGFR (0.51) EGFRERBB2HPGDHTTMAPT
SCHEMBL7582476 0.86 EGFR (0.51) EGFRERBB2HPGDHTTMAPT
SCHEMBL7580691 0.84 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL7580700 0.84 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999534 0.84 EGFR (0.51) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999540 0.84 EGFR (0.51) EGFRERBB2HPGDHTTMAPT
SCHEMBL7585796 0.83 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL7585793 0.83 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584883 0.82 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584865 0.82 EGFR (0.53) 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 1 patent. 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