SCHEMBL6993430

SCHEMBL6993430

CSc1ncc2ncnc(Nc3cc(Cl)c(N)c(Br)c3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.44
ERBB2 P04626 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GRM1 Q13255 1/20 0.36
FBP1 P09467 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6990256 0.92 EGFR (0.46) EGFRERBB2HPGDHTTGRM1
SCHEMBL6995684 0.92 EGFR (0.48) EGFR
SCHEMBL6993350 0.81 EGFR (0.43) EGFRERBB2HPGDHTTGRM1
SCHEMBL6992624 0.81 EGFR (0.43) EGFRERBB2HPGDHTTGRM1
SCHEMBL8318338 0.81 EGFR (0.51) EGFRERBB2HPGDHTTGRM1
SCHEMBL6994181 0.78 EGFR (0.58) EGFRERBB2HPGDHTTGRM1
SCHEMBL8316782 0.76 LMNA (0.50) EGFRERBB2FBP1MAPT
SCHEMBL8313726 0.75 EGFR (0.59) EGFRERBB2HTTMAPT
SCHEMBL8317436 0.75 EGFR (0.69) EGFRERBB2
SCHEMBL6999541 0.74 EGFR (0.52) EGFRERBB2HPGDHTT

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