SCHEMBL6996986

SCHEMBL6996986

CCNC(=O)NC1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.68
ERBB2 P04626 9/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
CSNK2A1 P68400 1/20 0.54
MAPT P10636 1/20 0.51
BRAF P15056 2/20 0.47
ERBB4 Q15303 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL8318688 0.89 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318694 0.89 EGFR (0.73) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993919 0.88 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6995102 0.87 EGFR (0.76) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314263 0.87 EGFR (0.84) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6995784 0.87 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993292 0.86 EGFR (0.71) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993876 0.85 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6993885 0.85 EGFR (0.72) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6999264 0.85 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1

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