SCHEMBL6992486

SCHEMBL6992486

CC(=O)N(C)C1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.69
ERBB2 P04626 2/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
BRAF P15056 18/20 0.53

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
SCHEMBL8316275 0.90 EGFR (0.75) EGFRERBB2MAPTHPGDHTT
SCHEMBL7585703 0.88 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL7582446 0.87 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996974 0.87 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999402 0.87 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8487996 0.87 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317849 0.86 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL8485588 0.86 EGFR (0.68) EGFRERBB2MAPTHPGDHTT
SCHEMBL7583353 0.85 EGFR (0.65) EGFRERBB2MAPTHPGDHTT
SCHEMBL7585230 0.85 EGFR (0.67) EGFRERBB2MAPTHPGDHTT

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