SCHEMBL6994982

SCHEMBL6994982

CCN1CCCC1CNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.63
ERBB2 P04626 4/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 1/20 0.63
MAPT P10636 1/20 0.57
MAP3K8 P41279 2/20 0.56
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
CSNK2A1 P68400 1/20 0.45
POLB P06746 1/20 0.44
FBP1 P09467 1/20 0.43
GRM1 Q13255 1/20 0.43
ERBB4 Q15303 2/20 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
SCHEMBL6996377 0.84 EGFR (0.62) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986993 0.84 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989080 0.81 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994978 0.81 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997903 0.81 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316693 0.80 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997355 0.80 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.80 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990926 0.80 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996566 0.80 EGFR (0.60) 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