SCHEMBL6989773

SCHEMBL6989773

NCC1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.73
ERBB2 P04626 5/20 0.73
HPGD P15428 1/20 0.73
HTT P42858 1/20 0.73
MAPT P10636 1/20 0.54
CSNK2A1 P68400 1/20 0.53
GRM1 Q13255 1/20 0.48
BCL6 P41182 2/20 0.44
BRAF P15056 2/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
FBP1 P09467 2/20 0.42
SOS1 Q07889 1/20 0.42
MAPK1 P28482 1/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CLK1 P49759 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
SCHEMBL6989781 1.00 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996319 0.94 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.92 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL8482954 0.90 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL6992157 0.90 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL7587481 0.90 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990717 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.89 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997923 0.89 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316770 0.88 EGFR (0.77) 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 2 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