SCHEMBL6997923

SCHEMBL6997923

CN(C)CC1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.72
ERBB2 P04626 4/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
MAPT P10636 1/20 0.60
CSNK2A1 P68400 1/20 0.51
BRAF P15056 2/20 0.45
BCL6 P41182 2/20 0.45
GRM1 Q13255 1/20 0.44
ERBB4 Q15303 1/20 0.44
FBP1 P09467 1/20 0.42
MELK Q14680 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
SCHEMBL8314263 0.90 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990717 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989773 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989781 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL3473824 0.89 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989676 0.89 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996319 0.88 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995190 0.87 EGFR (0.80) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993292 0.87 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995102 0.87 EGFR (0.76) 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