SCHEMBL6987952

SCHEMBL6987952

CC(=O)N1CCN(C(=O)C(C)(C)Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.61
ERBB2 P04626 10/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 1/20 0.49
ERBB4 Q15303 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALK Q9UM73 1/20 0.43
JAK3 P52333 2/20 0.43
GRM1 Q13255 1/20 0.43
CSNK2A1 P68400 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
SCHEMBL6993725 0.93 EGFR (0.68) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316967 0.91 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994929 0.86 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL8522097 0.84 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991323 0.84 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6998610 0.83 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317727 0.83 EGFR (0.74) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994346 0.82 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990100 0.82 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997355 0.82 EGFR (0.61) 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