SCHEMBL6992430

SCHEMBL6992430

CCNC(=O)Nc1ccc(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
ERBB2 P04626 13/20 0.62
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
KDR P35968 2/20 0.51
ERBB4 Q15303 6/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6990337 0.85 EGFR (0.56) EGFRERBB2HPGDHTTKDR
SCHEMBL6996986 0.83 EGFR (0.68) EGFRERBB2HPGDHTTERBB4
SCHEMBL8484377 0.83 EGFR (0.64) EGFRERBB2HPGDHTTERBB4
SCHEMBL6990967 0.82 EGFR (0.56) EGFRERBB2HPGDHTTERBB4
SCHEMBL6992426 0.82 EGFR (0.53) EGFRERBB2HPGDHTTERBB4
SCHEMBL8317835 0.81 EGFR (0.56) EGFRERBB2HPGDHTTKDR
SCHEMBL8317116 0.81 EGFR (0.53) EGFRERBB2HPGDHTTKDR
SCHEMBL8318976 0.80 EGFR (0.54) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317956 0.80 EGFR (0.56) EGFRERBB2HPGDHTTKDR
SCHEMBL8319458 0.79 EGFR (0.59) EGFRERBB2HPGDHTTKDR

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