SCHEMBL6996983

SCHEMBL6996983

CCN(C(N)=O)C1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.65
ERBB2 P04626 9/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
MAPT P10636 1/20 0.53
CSNK2A1 P68400 1/20 0.52
BRAF P15056 2/20 0.45
ERBB4 Q15303 5/20 0.44
DYRK1A Q13627 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM1 Q13255 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
SCHEMBL6992496 0.86 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL3473824 0.85 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989676 0.85 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318913 0.85 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584741 0.85 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584754 0.85 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL7578092 0.85 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL7578117 0.85 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.85 EGFR (0.84) EGFRERBB2HPGDHTTMAPT
SCHEMBL7580715 0.85 EGFR (0.65) 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